ChemSpider 2D Image | N-[(S)-Cyclopropyl(3-fluorophenyl)methyl]-3-{[methyl(methylsulfonyl)amino]methyl}-2-phenyl-4-quinolinecarboxamide | C29H28FN3O3S

N-[(S)-Cyclopropyl(3-fluorophenyl)methyl]-3-{[methyl(methylsulfonyl)amino]methyl}-2-phenyl-4-quinolinecarboxamide

  • Molecular FormulaC29H28FN3O3S
  • Average mass517.614 Da
  • Monoisotopic mass517.183533 Da
  • ChemSpider ID9744637

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-Quinolinecarboxamide, N-[(S)-cyclopropyl(3-fluorophenyl)methyl]-3-[[methyl(methylsulfonyl)amino]methyl]-2-phenyl- [ACD/Index Name]
N-[(S)-Cyclopropyl(3-fluorophényl)méthyl]-3-{[méthyl(méthylsulfonyl)amino]méthyl}-2-phényl-4-quinoléinecarboxamide [French] [ACD/IUPAC Name]
N-[(S)-Cyclopropyl(3-fluorophenyl)methyl]-3-{[methyl(methylsulfonyl)amino]methyl}-2-phenyl-4-quinolinecarboxamide [ACD/IUPAC Name]
N-[(S)-Cyclopropyl(3-fluorphenyl)methyl]-3-{[methyl(methylsulfonyl)amino]methyl}-2-phenyl-4-chinolincarboxamid [German] [ACD/IUPAC Name]
GSK-256471
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL479463/
N-[(S)-Cyclopropyl-(3-fluorophenyl)methyl]-3-[[methyl(methylsulfonyl)amino]methyl]-2-phenylquinoline-4-carboxamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.652
Molar Refractivity: 143.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2741.29
ACD/KOC (pH 5.5): 10054.17
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2744.25
ACD/KOC (pH 7.4): 10065.03
Polar Surface Area: 88 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 391.5±3.0 cm3

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