Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed T   > T6539075
68016-05-7 structure

T6539075

Iupac Name:(4Z)-4-[(5-carbamoyl-2-methoxyphenyl)hydrazinylidene]-3-oxo-N-
phenylnaphthalene-2-carboxamide
CAS No.:68016-05-7
Molecular Weight:440.4507
Molecular Formula:C13H14N2O2S (isomer)
Names and Identifiers
Synonyms

MCULE-3702515916 MOLPORT-009-550-714 n-{[3-(methoxymethyl)phenyl]methyl}-6-oxo-1,6-dihydropyridazine-3-carboxamide Z423110346 ZINC40535152

Inchi
InChI=1/C25H20N4O4/c1-33-21-12-11-16(24(26)31)14-20(21)28-29-22-18-10-6-5-7-15(18)13-19(23(22)30)25(32)27-17-8-3-2-4-9-17/h2-14,30H,1H3,(H2,26,31)(H,27,32)/b29-28+
Canonical Smiles
COC1=C(C=C(C=C1)C(=O)N)NN=C2C3=CC=CC=C3C=C(C2=O)C(=O)NC4=CC=CC=C4
Isomers Smiles
COC1=C(C=C(C=C1)C(=O)N)N/N=C\2/C3=CC=CC=C3C=C(C2=O)C(=O)NC4=CC=CC=C4
Properties
Melting Point
330-340°C
Refractive Index
1.667
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:440.4507g/mol
  • Molecular Formula:C13H14N2O2S
  • Exact Mass:440.148455
  • Monoisotopic Mass:440.148455
  • Complexity:817
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:123
  • Heavy Atom Count:33
  • 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
Recommended Suppliers
  • Tel:86-22-59853797
  • Fax:86-22-58823400
  • Tel:+86-571-82729978, 82779528
  • Fax:+86-571-83712077
  • Tel:+86-574-89075960
  • Fax:
  • Tel:+86-513-81299116;82112119;82187119
  • Fax:
  • Tel:852-29738324
  • Fax:+86-23-86092822
  • Tel:+86-(571)-8371-0101, 8371-0202
  • Fax:+86-(571)-8216-3005
  • Tel:+86-571-88233073
  • Fax:+86 571 8542 0855
  • Tel:+86-0150-58101658
  • Fax:+86-0571-56287633
  • Tel:86-575-82759601
  • Fax:86-575-82759601
Recommended Suppliers
  • Tel:86-22-59853797
  • Fax:86-22-58823400
  • Tel:+86-571-82729978, 82779528
  • Fax:+86-571-83712077
  • Tel:+86-574-89075960
  • Fax:
  • Tel:+86-513-81299116;82112119;82187119
  • Fax:
  • Tel:852-29738324
  • Fax:+86-23-86092822
  • Tel:+86-(571)-8371-0101, 8371-0202
  • Fax:+86-(571)-8216-3005
  • Tel:+86-571-88233073
  • Fax:+86 571 8542 0855
  • Tel:+86-0150-58101658
  • Fax:+86-0571-56287633
  • Tel:86-575-82759601
  • Fax:86-575-82759601
 
<