ChemSpider 2D Image | 4-(3,3-Dimethylbutyl)-N-({4-[(1,8-dimethyl-2,4-dihydropyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)carbonyl]cyclohexyl}methyl)-1-piperazinecarboxamide | C31H47N7O2

4-(3,3-Dimethylbutyl)-N-({4-[(1,8-dimethyl-2,4-dihydropyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)carbonyl]cyclohexyl}methyl)-1-piperazinecarboxamide

  • Molecular FormulaC31H47N7O2
  • Average mass549.751 Da
  • Monoisotopic mass549.379150 Da
  • ChemSpider ID9730559

More details:

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

1-Piperazinecarboxamide, N-[[4-[(2,4-dihydro-1,8-dimethylpyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)carbonyl]cyclohexyl]methyl]-4-(3,3-dimethylbutyl)- [ACD/Index Name]
4-(3,3-Dimethylbutyl)-N-({4-[(1,8-dimethyl-2,4-dihydropyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)carbonyl]cyclohexyl}methyl)-1-piperazincarboxamid [German] [ACD/IUPAC Name]
4-(3,3-Dimethylbutyl)-N-({4-[(1,8-dimethyl-2,4-dihydropyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)carbonyl]cyclohexyl}methyl)-1-piperazinecarboxamide [ACD/IUPAC Name]
4-(3,3-Diméthylbutyl)-N-({4-[(1,8-diméthyl-2,4-dihydropyrazolo[3,4-b][1,5]benzodiazépin-5(1H)-yl)carbonyl]cyclohexyl}méthyl)-1-pipérazinecarboxamide [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.640
Molar Refractivity: 159.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 3.87
ACD/KOC (pH 7.4): 21.05
Polar Surface Area: 84 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 441.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement