ChemSpider 2D Image | N-{3-[6-(1,4'-Bipiperidin-1'-yl)-4-oxo-3(4H)-quinazolinyl]-4-methylphenyl}-3-(2-cyano-2-propanyl)benzamide | C36H40N6O2

N-{3-[6-(1,4'-Bipiperidin-1'-yl)-4-oxo-3(4H)-quinazolinyl]-4-methylphenyl}-3-(2-cyano-2-propanyl)benzamide

  • Molecular FormulaC36H40N6O2
  • Average mass588.742 Da
  • Monoisotopic mass588.321289 Da
  • ChemSpider ID9687459

More details:

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

Benzamide, N-[3-(6-[1,4'-bipiperidin]-1'-yl-4-oxo-3(4H)-quinazolinyl)-4-methylphenyl]-3-(1-cyano-1-methylethyl)- [ACD/Index Name]
N-{3-[6-(1,4'-Bipiperidin-1'-yl)-4-oxo-3(4H)-chinazolinyl]-4-methylphenyl}-3-(2-cyan-2-propanyl)benzamid [German] [ACD/IUPAC Name]
N-{3-[6-(1,4'-Bipiperidin-1'-yl)-4-oxo-3(4H)-quinazolinyl]-4-methylphenyl}-3-(2-cyano-2-propanyl)benzamide [ACD/IUPAC Name]
N-{3-[6-(1,4'-Bipipéridin-1'-yl)-4-oxo-3(4H)-quinazolinyl]-4-méthylphényl}-3-(2-cyano-2-propanyl)benzamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.656
Molar Refractivity: 174.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 3.67
ACD/KOC (pH 5.5): 12.12
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 45.59
ACD/KOC (pH 7.4): 150.57
Polar Surface Area: 92 Å2
Polarizability: 69.3±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 475.8±7.0 cm3

Click to predict properties on the Chemicalize site


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