ChemSpider 2D Image | 4-[2-hydroxy-4-(propan-2-yl)-1H-imidazol-1-yl]-N-[(3R)-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide | C29H31F3N6O3

4-[2-hydroxy-4-(propan-2-yl)-1H-imidazol-1-yl]-N-[(3R)-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide

  • Molecular FormulaC29H31F3N6O3
  • Average mass568.590 Da
  • Monoisotopic mass568.240967 Da
  • ChemSpider ID9745234

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperidinecarboxamide, 4-[2,3-dihydro-4-(1-methylethyl)-2-oxo-1H-imidazol-1-yl]-N-[(3R)-2,3-dihydro-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-1H-1,4-benzodiazepin-3-yl]- [ACD/Index Name]
4-(4-Isopropyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-N-[(3R)-2-oxo-5-phenyl-1-(2,2,2-trifluorethyl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-1-piperidincarboxamid [German] [ACD/IUPAC Name]
4-(4-Isopropyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-N-[(3R)-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-1-piperidinecarboxamide [ACD/IUPAC Name]
4-(4-Isopropyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-N-[(3R)-2-oxo-5-phényl-1-(2,2,2-trifluoroéthyl)-2,3-dihydro-1H-1,4-benzodiazépin-3-yl]-1-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-[2-hydroxy-4-(propan-2-yl)-1H-imidazol-1-yl]-N-[(3R)-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide
(R)-4-(4-isopropyl-2-oxo-2,3-dihydroimidazol-1-yl)-N-(2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)piperidine-1-carboxamide
CHEMBL385399

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.642
Molar Refractivity: 146.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 366.76
ACD/KOC (pH 5.5): 2382.08
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 367.14
ACD/KOC (pH 7.4): 2384.55
Polar Surface Area: 97 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 406.7±7.0 cm3

Click to predict properties on the Chemicalize site


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