Thieno[2,3-c]pyridine-2-carboxamide, 4-[(4-nitrophenyl)amino]-
- Iupac Name：N-(2,4-dimethylphenyl)-2,2,2-trifluoro-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide
- CAS No.: 1146963-51-0
- Molecular Weight：350.341
- Modify Date.: 2021-08-10 18:08
1. Names and Identifiers
- 1.1 Name
- Thieno[2,3-c]pyridine-2-carboxamide, 4-[(4-nitrophenyl)amino]-
- 1.2 CAS No.
- 1146963-51-0
- 1.3 CID
- 25229652
- 1.4 Molecular Formula
- C29H42N8O9 (isomer)
- 1.5 Inchi
- InChI=1S/C18H17F3N2O2/c1-12-7-8-16(13(2)9-12)23(17(24)18(19,20)21)22-11-14-5-4-6-15(10-14)25-3/h4-11H,1-3H3/b22-11+
- 1.6 InChkey
- HYMZAYGFKNNHDN-SSDVNMTOSA-N
- 1.7 Canonical Smiles
- CC1=CC(=C(C=C1)N(C(=O)C(F)(F)F)N=CC2=CC(=CC=C2)OC)C
- 1.8 Isomers Smiles
- CC1=CC(=C(C=C1)N(C(=O)C(F)(F)F)/N=C/C2=CC(=CC=C2)OC)C
2. Properties
- 3.1 PSA
- 41.90000
- 3.1 logP
- 4.24140
3. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
4. Computational chemical data
- Molecular Weight: 350.341g/mol
- Molecular Formula: C29H42N8O9
- Compound Is Canonicalized: True
- XLogP3-AA: 4.7
- Exact Mass: 350.12421228
- Monoisotopic Mass: 350.12421228
- Complexity: 481
- Rotatable Bond Count: 4
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Topological Polar Surface Area: 41.9
- Heavy Atom Count: 25
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADceB7MYAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHwAIAAAADAzBmBYyxoIABACoAjVzUACSDAAhIgAaiAAmbJgMJqLEsZuEMChkzBHI6AeQwFAOCAADAAACAAAQAAYAAAQAAAAAAAAAAA==
6. Realated Product Infomation
-
870237-67-5
Thieno[2,3-c]pyridine-2-carboxamide, 4-(3-nitrophenyl)-
-
858643-37-5
Thieno[2,3-b]pyridine-2-carboxamide,3-amino-4-(3-nitrophenyl)-6-phenyl-
-
858643-25-1
Thieno[2,3-b]pyridine-2-carboxamide,3-amino-6-(3-nitrophenyl)-4-phenyl-
-
874388-92-8
Thieno[2,3-b]pyridine-2-carboxamide,3-amino-4,6-dimethyl-5-(4-nitrophenyl)-
-
858643-45-5
Thieno[2,3-b]pyridine-2-carboxamide,3-amino-6-(2-hydroxyphenyl)-4-(3-nitrophenyl)-
-
858643-43-3
Thieno[2,3-b]pyridine-2-carboxamide,3-amino-6-(2-methoxyphenyl)-4-(3-nitrophenyl)-
-
874384-63-1
Thieno[2,3-b]pyridine-2-carboxamide,3-amino-4,6-dimethyl-5-[(4-nitrophenyl)methyl]-
![Thieno[2,3-c]pyridine-2-carboxamide, 4-[(4-nitrophenyl)amino]- structure](http://structimg.guidechem.com/11/11/15485170.png)
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