ChemSpider 2D Image | N-{(1S)-1-(2-Chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl}-1-(4-cyano-2-pyrimidinyl)-N-(3-fluorophenyl)-5-oxo-L-prolinamide | C28H22ClF3N6O3

N-{(1S)-1-(2-Chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl}-1-(4-cyano-2-pyrimidinyl)-N-(3-fluorophenyl)-5-oxo-L-prolinamide

  • Molecular FormulaC28H22ClF3N6O3
  • Average mass582.961 Da
  • Monoisotopic mass582.139404 Da
  • ChemSpider ID129033063

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Pyrrolidinecarboxamide, N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyrimidinyl)-N-(3-fluorophenyl)-5-oxo-, (2S)- [ACD/Index Name]
N-{(1S)-1-(2-Chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl}-1-(4-cyano-2-pyrimidinyl)-N-(3-fluorophenyl)-5-oxo-L-prolinamide [ACD/IUPAC Name]
N-{(1S)-1-(2-Chlorophényl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoéthyl}-1-(4-cyano-2-pyrimidinyl)-N-(3-fluorophényl)-5-oxo-L-prolinamide [French] [ACD/IUPAC Name]
N-{(1S)-1-(2-Chlorphenyl)-2-[(3,3-difluorcyclobutyl)amino]-2-oxoethyl}-1-(4-cyan-2-pyrimidinyl)-N-(3-fluorphenyl)-5-oxo-L-prolinamid [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 140.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.08
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 4.78
ACD/KOC (pH 5.5): 106.64
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 4.78
ACD/KOC (pH 7.4): 106.63
Polar Surface Area: 119 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 73.0±5.0 dyne/cm
Molar Volume: 383.6±5.0 cm3

Click to predict properties on the Chemicalize site


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