ChemSpider 2D Image | N-(2,4-Difluorophenyl)-4-{4-methyl-5-[4-(2-methyl-2-propanyl)benzyl]-6-oxo-1,6-dihydro-2-pyrimidinyl}-1-piperazinecarboxamide | C27H31F2N5O2

N-(2,4-Difluorophenyl)-4-{4-methyl-5-[4-(2-methyl-2-propanyl)benzyl]-6-oxo-1,6-dihydro-2-pyrimidinyl}-1-piperazinecarboxamide

  • Molecular FormulaC27H31F2N5O2
  • Average mass495.564 Da
  • Monoisotopic mass495.244568 Da
  • ChemSpider ID66419867

More details:

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

1-Piperazinecarboxamide, N-(2,4-difluorophenyl)-4-[5-[[4-(1,1-dimethylethyl)phenyl]methyl]-1,6-dihydro-4-methyl-6-oxo-2-pyrimidinyl]- [ACD/Index Name]
N-(2,4-Difluorophenyl)-4-{4-methyl-5-[4-(2-methyl-2-propanyl)benzyl]-6-oxo-1,6-dihydro-2-pyrimidinyl}-1-piperazinecarboxamide [ACD/IUPAC Name]
N-(2,4-Difluorophényl)-4-{4-méthyl-5-[4-(2-méthyl-2-propanyl)benzyl]-6-oxo-1,6-dihydro-2-pyrimidinyl}-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
N-(2,4-Difluorphenyl)-4-{4-methyl-5-[4-(2-methyl-2-propanyl)benzyl]-6-oxo-1,6-dihydro-2-pyrimidinyl}-1-piperazincarboxamid [German] [ACD/IUPAC Name]

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: 1.608
Molar Refractivity: 135.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 376.30
ACD/KOC (pH 5.5): 2042.27
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 683.58
ACD/KOC (pH 7.4): 3709.88
Polar Surface Area: 77 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 43.3±7.0 dyne/cm
Molar Volume: 390.6±7.0 cm3

Click to predict properties on the Chemicalize site


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