ChemSpider 2D Image | 4-(2-Methylphenyl)-N-(5,6,7,8-tetrahydro-1-naphthalenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide | C30H29N3O

4-(2-Methylphenyl)-N-(5,6,7,8-tetrahydro-1-naphthalenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

  • Molecular FormulaC30H29N3O
  • Average mass447.571 Da
  • Monoisotopic mass447.231049 Da
  • ChemSpider ID21907540

More details:

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

4-(2-Méthylphényl)-N-(5,6,7,8-tétrahydro-1-naphtalényl)-4H-pyrrolo[1,2-a][1,4]benzodiazépine-5(6H)-carboxamide [French] [ACD/IUPAC Name]
4-(2-Methylphenyl)-N-(5,6,7,8-tetrahydro-1-naphthalenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide [ACD/IUPAC Name]
4-(2-Methylphenyl)-N-(5,6,7,8-tetrahydro-1-naphthalinyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5(6H)-carboxamid [German] [ACD/IUPAC Name]
4H-Pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide, 4-(2-methylphenyl)-N-(5,6,7,8-tetrahydro-1-naphthalenyl)- [ACD/Index Name]
4-(2-methylphenyl)-N-5,6,7,8-tetrahydronaphthalen-1-yl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 691.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 371.9±31.5 °C
Index of Refraction: 1.671
Molar Refractivity: 137.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.96
ACD/LogD (pH 5.5): 6.06
ACD/BCF (pH 5.5): 23729.49
ACD/KOC (pH 5.5): 47142.42
ACD/LogD (pH 7.4): 6.06
ACD/BCF (pH 7.4): 23730.46
ACD/KOC (pH 7.4): 47144.33
Polar Surface Area: 37 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 366.7±7.0 cm3

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