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

(4S)-N-{(1S)-1-(2-Chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl}-3-(4-cyano-2-pyridinyl)-N-(3-fluorophenyl)-2-oxo-4-imidazolidinecarboxamide

  • Molecular FormulaC28H22ClF3N6O3
  • Average mass582.961 Da
  • Monoisotopic mass582.139404 Da
  • ChemSpider ID129033073

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-N-{(1S)-1-(2-Chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl}-3-(4-cyano-2-pyridinyl)-N-(3-fluorophenyl)-2-oxo-4-imidazolidinecarboxamide [ACD/IUPAC Name]
(4S)-N-{(1S)-1-(2-Chlorophényl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoéthyl}-3-(4-cyano-2-pyridinyl)-N-(3-fluorophényl)-2-oxo-4-imidazolidinecarboxamide [French] [ACD/IUPAC Name]
(4S)-N-{(1S)-1-(2-Chlorphenyl)-2-[(3,3-difluorcyclobutyl)amino]-2-oxoethyl}-3-(4-cyan-2-pyridinyl)-N-(3-fluorphenyl)-2-oxo-4-imidazolidincarboxamid [German] [ACD/IUPAC Name]
4-Imidazolidinecarboxamide, N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(3-fluorophenyl)-2-oxo-, (4S)- [ACD/Index 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: 1.662
Molar Refractivity: 141.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.03
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 21.82
ACD/KOC (pH 5.5): 316.17
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 21.84
ACD/KOC (pH 7.4): 316.37
Polar Surface Area: 118 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 72.3±5.0 dyne/cm
Molar Volume: 382.0±5.0 cm3

Click to predict properties on the Chemicalize site


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