ChemSpider 2D Image | 4-(Cyclopentylmethyl)-N-{2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)carbonyl]benzyl}-1-piperazinecarboxamide | C31H39N7O2

4-(Cyclopentylmethyl)-N-{2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)carbonyl]benzyl}-1-piperazinecarboxamide

  • Molecular FormulaC31H39N7O2
  • Average mass541.687 Da
  • Monoisotopic mass541.316528 Da
  • ChemSpider ID8274365

More details:

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

1-Piperazinecarboxamide, 4-(cyclopentylmethyl)-N-[[4-[(2,4-dihydro-1-methylpyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)carbonyl]-2-methylphenyl]methyl]- [ACD/Index Name]
4-(Cyclopentylmethyl)-N-{2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)carbonyl]benzyl}-1-piperazincarboxamid [German] [ACD/IUPAC Name]
4-(Cyclopentylmethyl)-N-{2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)carbonyl]benzyl}-1-piperazinecarboxamide [ACD/IUPAC Name]
4-(Cyclopentylméthyl)-N-{2-méthyl-4-[(1-méthyl-2,4-dihydropyrazolo[3,4-b][1,5]benzodiazépin-5(1H)-yl)carbonyl]benzyl}-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.689
Molar Refractivity: 156.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.19
ACD/LogD (pH 5.5): -0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.67
Polar Surface Area: 84 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 409.8±7.0 cm3

Click to predict properties on the Chemicalize site


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