ChemSpider 2D Image | 2-(4-Chlorophenyl)-1-[4-(3-pyridinylmethyl)-2,3,4,5,7,8,9,10-octahydro-1'H-spiro[1,4-benzoxazacyclododecine-6,4'-piperidin]-1'-yl]ethanone | C32H38ClN3O2

2-(4-Chlorophenyl)-1-[4-(3-pyridinylmethyl)-2,3,4,5,7,8,9,10-octahydro-1'H-spiro[1,4-benzoxazacyclododecine-6,4'-piperidin]-1'-yl]ethanone

  • Molecular FormulaC32H38ClN3O2
  • Average mass532.116 Da
  • Monoisotopic mass531.265259 Da
  • ChemSpider ID77199732

More details:

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

2-(4-Chlorophenyl)-1-[4-(3-pyridinylmethyl)-2,3,4,5,7,8,9,10-octahydro-1'H-spiro[1,4-benzoxazacyclododecine-6,4'-piperidin]-1'-yl]ethanone [ACD/IUPAC Name]
2-(4-Chlorophényl)-1-[4-(3-pyridinylméthyl)-2,3,4,5,7,8,9,10-octahydro-1'H-spiro[1,4-benzoxazacyclododecine-6,4'-piperidin]-1'-yl]éthanone [French] [ACD/IUPAC Name]
2-(4-Chlorphenyl)-1-[4-(3-pyridinylmethyl)-2,3,4,5,7,8,9,10-octahydro-1'H-spiro[1,4-benzoxazacyclododecine-6,4'-piperidin]-1'-yl]ethanon [German] [ACD/IUPAC Name]
Ethanone, 2-(4-chlorophenyl)-1-[2,3,4,5,7,8,9,10-octahydro-4-(3-pyridinylmethyl)spiro[6H-1,4-benzoxaazacyclododecine-6,4'-piperidin]-1'-yl]- [ACD/Index 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: 699.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 376.9±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 153.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 4.87
ACD/BCF (pH 5.5): 1534.20
ACD/KOC (pH 5.5): 3060.08
ACD/LogD (pH 7.4): 5.98
ACD/BCF (pH 7.4): 19903.71
ACD/KOC (pH 7.4): 39699.36
Polar Surface Area: 46 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 434.5±5.0 cm3

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