ChemSpider 2D Image | N-{3-[Benzyl(methyl)amino]-3-oxopropyl}-N-ethyl-5-(2-methylbenzyl)-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide | C29H35N5O3

N-{3-[Benzyl(methyl)amino]-3-oxopropyl}-N-ethyl-5-(2-methylbenzyl)-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

  • Molecular FormulaC29H35N5O3
  • Average mass501.620 Da
  • Monoisotopic mass501.273987 Da
  • ChemSpider ID22718811

More details:

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

4H-Pyrazolo[1,5-a][1,4]diazepine-2-carboxamide, N-ethyl-5,6,7,8-tetrahydro-5-[(2-methylphenyl)methyl]-N-[3-[methyl(phenylmethyl)amino]-3-oxopropyl]-4-oxo- [ACD/Index Name]
N-{3-[Benzyl(methyl)amino]-3-oxopropyl}-N-ethyl-5-(2-methylbenzyl)-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-carboxamid [German] [ACD/IUPAC Name]
N-{3-[Benzyl(methyl)amino]-3-oxopropyl}-N-ethyl-5-(2-methylbenzyl)-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide [ACD/IUPAC Name]
N-{3-[Benzyl(méthyl)amino]-3-oxopropyl}-N-éthyl-5-(2-méthylbenzyl)-4-oxo-5,6,7,8-tétrahydro-4H-pyrazolo[1,5-a][1,4]diazépine-2-carboxamide [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: 747.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 406.0±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 146.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.63
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.61
ACD/KOC (pH 5.5): 561.04
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.61
ACD/KOC (pH 7.4): 561.04
Polar Surface Area: 79 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 47.2±7.0 dyne/cm
Molar Volume: 421.9±7.0 cm3

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