ChemSpider 2D Image | 3-{1-[4-(Cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-(1,2,3,4-tetrahydro-1-naphthalenyl)propanamide | C33H33N3O

3-{1-[4-(Cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-(1,2,3,4-tetrahydro-1-naphthalenyl)propanamide

  • Molecular FormulaC33H33N3O
  • Average mass487.635 Da
  • Monoisotopic mass487.262360 Da
  • ChemSpider ID22737670

More details:

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

1H-Pyrrole-2-propanamide, 1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-N-(1,2,3,4-tetrahydro-1-naphthalenyl)- [ACD/Index Name]
3-{1-[4-(Cyanmethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-(1,2,3,4-tetrahydro-1-naphthalinyl)propanamid [German] [ACD/IUPAC Name]
3-{1-[4-(Cyanométhyl)phényl]-5-(2,4-diméthylphényl)-1H-pyrrol-2-yl}-N-(1,2,3,4-tétrahydro-1-naphtalényl)propanamide [French] [ACD/IUPAC Name]
3-{1-[4-(Cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-(1,2,3,4-tetrahydro-1-naphthalenyl)propanamide [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 726.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 393.4±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 151.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.61
ACD/LogD (pH 5.5): 7.14
ACD/BCF (pH 5.5): 156754.66
ACD/KOC (pH 5.5): 182102.30
ACD/LogD (pH 7.4): 7.14
ACD/BCF (pH 7.4): 156754.83
ACD/KOC (pH 7.4): 182102.50
Polar Surface Area: 58 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 44.5±7.0 dyne/cm
Molar Volume: 428.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement