ChemSpider 2D Image | N-[3-(Dimethylamino)propyl]-10-{[2-methoxy-2'-(trifluoromethyl)-4-biphenylyl]carbonyl}-N-methyl-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide | C34H35F3N4O3

N-[3-(Dimethylamino)propyl]-10-{[2-methoxy-2'-(trifluoromethyl)-4-biphenylyl]carbonyl}-N-methyl-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide

  • Molecular FormulaC34H35F3N4O3
  • Average mass604.662 Da
  • Monoisotopic mass604.266113 Da
  • ChemSpider ID8343192

More details:






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

5H-Pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide, N-[3-(dimethylamino)propyl]-10,11-dihydro-10-[[2-methoxy-2'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]carbonyl]-N-methyl- [ACD/Index Name]
N-[3-(Dimethylamino)propyl]-10-{[2-methoxy-2'-(trifluormethyl)-4-biphenylyl]carbonyl}-N-methyl-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-3-carboxamid [German] [ACD/IUPAC Name]
N-[3-(Dimethylamino)propyl]-10-{[2-methoxy-2'-(trifluoromethyl)-4-biphenylyl]carbonyl}-N-methyl-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide [ACD/IUPAC Name]
N-[3-(Diméthylamino)propyl]-10-{[2-méthoxy-2'-(trifluorométhyl)-4-biphénylyl]carbonyl}-N-méthyl-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazépine-3-carboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 745.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 404.5±32.9 °C
Index of Refraction: 1.586
Molar Refractivity: 164.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 5.88
ACD/KOC (pH 5.5): 17.00
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 71.39
ACD/KOC (pH 7.4): 206.40
Polar Surface Area: 58 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 41.4±7.0 dyne/cm
Molar Volume: 491.1±7.0 cm3

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