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Home> Hot Product Listed T   > T6442010
147568-66-9 structure

T6442010

Iupac Name:8-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]-1H-quinolin-2-one
CAS No.:147568-66-9
Molecular Weight:368.43
Molecular Formula:C14H11N3O2S3 (isomer)
Names and Identifiers
Synonyms

3,4-dichloro-n-(1h-pyrazol-4-yl)benzamide AKOS009296821 MCULE-5331592766 MOLPORT-007-421-896 Z372500312 ZINC35237515

Inchi
InChI=1S/C21H24N2O4/c1-13(11-14-3-5-15(27-2)6-4-14)22-12-19(25)16-7-9-18(24)21-17(16)8-10-20(26)23-21/h3-10,13,19,22,24-25H,11-12H2,1-2H3,(H,23,26)/t13-,19+/m1/s1
InChkey
IHOXNOQMRZISPV-YJYMSZOUSA-N
Canonical Smiles
CC(CC1=CC=C(C=C1)OC)NCC(C2=C3C=CC(=O)NC3=C(C=C2)O)O
Properties
Vapour
5.71E-17mmHg at 25°C
Refractive Index
1.611
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

Computational chemical data
  • Molecular Weight:368.43g/mol
  • Molecular Formula:C14H11N3O2S3
  • Compound Is Canonicalized:True
  • Exact Mass:368.174
  • Monoisotopic Mass:368.174
  • Complexity:518
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:90.8A^2
  • Heavy Atom Count:27
  • Defined Atom Stereocenter Count:2
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAQCAAADDzhmAYyxoLABgCI AiVSUACCCAAhIAAIiIAPTMgONiLWsZuEcChk1BHY+Yew4LQOoAABQAASEABAAAKAACQgAAAAAAAA AA==
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