ChemSpider 2D Image | 2-[(4-Methyl-1,4-diazepan-1-yl)carbonothioyl]-N-{2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)carbonyl]benzyl}-1-pyrrolidinecarboxamide | C32H40N8O2S

2-[(4-Methyl-1,4-diazepan-1-yl)carbonothioyl]-N-{2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)carbonyl]benzyl}-1-pyrrolidinecarboxamide

  • Molecular FormulaC32H40N8O2S
  • Average mass600.777 Da
  • Monoisotopic mass600.299500 Da
  • ChemSpider ID8320911

More details:

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

1-Pyrrolidinecarboxamide, N-[[4-[(2,4-dihydro-1-methylpyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)carbonyl]-2-methylphenyl]methyl]-2-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)thioxomethyl]- [ACD/Index Name]
2-[(4-Methyl-1,4-diazepan-1-yl)carbonothioyl]-N-{2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)carbonyl]benzyl}-1-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
2-[(4-Methyl-1,4-diazepan-1-yl)carbonothioyl]-N-{2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)carbonyl]benzyl}-1-pyrrolidinecarboxamide [ACD/IUPAC Name]
2-[(4-Méthyl-1,4-diazépan-1-yl)carbonothioyl]-N-{2-méthyl-4-[(1-méthyl-2,4-dihydropyrazolo[3,4-b][1,5]benzodiazépin-5(1H)-yl)carbonyl]benzyl}-1-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.702
Molar Refractivity: 172.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.94
ACD/LogD (pH 5.5): -1.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 444.3±7.0 cm3

Click to predict properties on the Chemicalize site


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