ChemSpider 2D Image | (12bS)-2-(Cyclohexylcarbonyl)-2,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4(1H)-one | C20H26N2O2

(12bS)-2-(Cyclohexylcarbonyl)-2,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4(1H)-one

  • Molecular FormulaC20H26N2O2
  • Average mass326.433 Da
  • Monoisotopic mass326.199432 Da
  • ChemSpider ID34983705

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(12bS)-2-(Cyclohexylcarbonyl)-2,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4(1H)-on [German] [ACD/IUPAC Name]
(12bS)-2-(Cyclohexylcarbonyl)-2,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4(1H)-one [ACD/IUPAC Name]
(12bS)-2-(Cyclohexylcarbonyl)-2,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazépin-4(1H)-one [French] [ACD/IUPAC Name]
Pyrazino[2,1-a][2]benzazepin-4(1H)-one, 2-(cyclohexylcarbonyl)-2,3,6,7,8,12b-hexahydro-, (12bS)- [ACD/Index Name]
98123-83-2 [RN]
Epsiprantel
UNII-0C1SPQ0FSR

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 553.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 255.3±22.5 °C
Index of Refraction: 1.607
Molar Refractivity: 93.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 116.63
ACD/KOC (pH 5.5): 1049.61
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 116.63
ACD/KOC (pH 7.4): 1049.61
Polar Surface Area: 41 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 270.4±5.0 cm3

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