ChemSpider 2D Image | 10-Chloro-7,7-dimethyl-2-{[2-(1-naphthyl)-1H-benzimidazol-5-yl]carbonyl}-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one | C32H27ClN4O2

10-Chloro-7,7-dimethyl-2-{[2-(1-naphthyl)-1H-benzimidazol-5-yl]carbonyl}-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one

  • Molecular FormulaC32H27ClN4O2
  • Average mass535.035 Da
  • Monoisotopic mass534.182251 Da
  • ChemSpider ID121269169

More details:

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

10-Chlor-7,7-dimethyl-2-{[2-(1-naphthyl)-1H-benzimidazol-5-yl]carbonyl}-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isochinolin-4-on [German] [ACD/IUPAC Name]
10-Chloro-7,7-dimethyl-2-{[2-(1-naphthyl)-1H-benzimidazol-5-yl]carbonyl}-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one [ACD/IUPAC Name]
10-Chloro-7,7-diméthyl-2-{[2-(1-naphtyl)-1H-benzimidazol-5-yl]carbonyl}-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinoléin-4-one [French] [ACD/IUPAC Name]
4H-Pyrazino[2,1-a]isoquinolin-4-one, 10-chloro-1,2,3,6,7,11b-hexahydro-7,7-dimethyl-2-[[2-(1-naphthalenyl)-1H-benzimidazol-5-yl]carbonyl]- [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: 796.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 435.3±35.7 °C
Index of Refraction: 1.756
Molar Refractivity: 153.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 5188.68
ACD/KOC (pH 5.5): 15487.40
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5655.95
ACD/KOC (pH 7.4): 16882.12
Polar Surface Area: 69 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 77.6±5.0 dyne/cm
Molar Volume: 374.2±5.0 cm3

Click to predict properties on the Chemicalize site


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