ChemSpider 2D Image | 7-[4-(3,5-Dimethoxybenzyl)-1-piperazinyl]-1-(1-methyl-4,10-dihydropyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)-1-heptanone | C31H42N6O3

7-[4-(3,5-Dimethoxybenzyl)-1-piperazinyl]-1-(1-methyl-4,10-dihydropyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)-1-heptanone

  • Molecular FormulaC31H42N6O3
  • Average mass546.704 Da
  • Monoisotopic mass546.331848 Da
  • ChemSpider ID58863685

More details:

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

1-Heptanone, 1-(4,10-dihydro-1-methylpyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)-7-[4-[(3,5-dimethoxyphenyl)methyl]-1-piperazinyl]- [ACD/Index Name]
7-[4-(3,5-Dimethoxybenzyl)-1-piperazinyl]-1-(1-methyl-4,10-dihydropyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)-1-heptanon [German] [ACD/IUPAC Name]
7-[4-(3,5-Dimethoxybenzyl)-1-piperazinyl]-1-(1-methyl-4,10-dihydropyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)-1-heptanone [ACD/IUPAC Name]
7-[4-(3,5-Diméthoxybenzyl)-1-pipérazinyl]-1-(1-méthyl-4,10-dihydropyrazolo[3,4-b][1,5]benzodiazépin-5(1H)-yl)-1-heptanone [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: 758.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 412.5±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 157.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 1.65
ACD/KOC (pH 5.5): 11.47
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 104.04
ACD/KOC (pH 7.4): 723.99
Polar Surface Area: 75 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 448.5±7.0 cm3

Click to predict properties on the Chemicalize site


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