ChemSpider 2D Image | N-[4-(Dimethylamino)butyl]-3-{3-(2-methyl-2-propanyl)-5-[(1-naphthylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamide | C31H38N6O2

N-[4-(Dimethylamino)butyl]-3-{3-(2-methyl-2-propanyl)-5-[(1-naphthylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamide

  • Molecular FormulaC31H38N6O2
  • Average mass526.672 Da
  • Monoisotopic mass526.305603 Da
  • ChemSpider ID24808739

More details:

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

Benzamide, N-[4-(dimethylamino)butyl]-3-[3-(1,1-dimethylethyl)-5-[[(1-naphthalenylamino)carbonyl]amino]-1H-pyrazol-1-yl]- [ACD/Index Name]
N-[4-(Dimethylamino)butyl]-3-{3-(2-methyl-2-propanyl)-5-[(1-naphthylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamid [German] [ACD/IUPAC Name]
N-[4-(Dimethylamino)butyl]-3-{3-(2-methyl-2-propanyl)-5-[(1-naphthylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamide [ACD/IUPAC Name]
N-[4-(Diméthylamino)butyl]-3-{3-(2-méthyl-2-propanyl)-5-[(1-naphtylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamide [French] [ACD/IUPAC Name]
Kinome_2147

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

Density: 1.2±0.1 g/cm3
Boiling Point: 644.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 343.8±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 156.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 3.42
ACD/KOC (pH 5.5): 11.39
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 31.50
ACD/KOC (pH 7.4): 104.93
Polar Surface Area: 91 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 452.8±7.0 cm3

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