ChemSpider 2D Image | 2-(Cyclopropylamino)-7-[2-(methylsulfanyl)ethyl]-11-[4-(2-pyridinyl)-1-piperazinyl]-7H-benzimidazo[1,2-d][1,4]benzodiazepin-6(13H)-one | C30H33N7OS

2-(Cyclopropylamino)-7-[2-(methylsulfanyl)ethyl]-11-[4-(2-pyridinyl)-1-piperazinyl]-7H-benzimidazo[1,2-d][1,4]benzodiazepin-6(13H)-one

  • Molecular FormulaC30H33N7OS
  • Average mass539.694 Da
  • Monoisotopic mass539.246704 Da
  • ChemSpider ID8025931

More details:

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

2-(Cyclopropylamino)-7-[2-(methylsulfanyl)ethyl]-11-[4-(2-pyridinyl)-1-piperazinyl]-7H-benzimidazo[1,2-d][1,4]benzodiazepin-6(13H)-on [German] [ACD/IUPAC Name]
2-(Cyclopropylamino)-7-[2-(methylsulfanyl)ethyl]-11-[4-(2-pyridinyl)-1-piperazinyl]-7H-benzimidazo[1,2-d][1,4]benzodiazepin-6(13H)-one [ACD/IUPAC Name]
2-(Cyclopropylamino)-7-[2-(méthylsulfanyl)éthyl]-11-[4-(2-pyridinyl)-1-pipérazinyl]-7H-benzimidazo[1,2-d][1,4]benzodiazépin-6(13H)-one [French] [ACD/IUPAC Name]
7H-Benzimidazo[1,2-d][1,4]benzodiazepin-6(13H)-one, 2-(cyclopropylamino)-7-[2-(methylthio)ethyl]-11-[4-(2-pyridinyl)-1-piperazinyl]- [ACD/Index 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: 723.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 391.1±35.7 °C
Index of Refraction: 1.762
Molar Refractivity: 155.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.34
ACD/LogD (pH 5.5): -1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.11
Polar Surface Area: 101 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 61.9±7.0 dyne/cm
Molar Volume: 377.3±7.0 cm3

Click to predict properties on the Chemicalize site


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