ChemSpider 2D Image | 1-(4-Benzyl-4-hydroxy-1-piperidinyl)-3-[(2S,3S)-5-chloro-2-(4-chlorophenyl)-1-methyl-2,3-dihydro-1H-indol-3-yl]-1-propanone | C30H32Cl2N2O2

1-(4-Benzyl-4-hydroxy-1-piperidinyl)-3-[(2S,3S)-5-chloro-2-(4-chlorophenyl)-1-methyl-2,3-dihydro-1H-indol-3-yl]-1-propanone

  • Molecular FormulaC30H32Cl2N2O2
  • Average mass523.493 Da
  • Monoisotopic mass522.184082 Da
  • ChemSpider ID8340584

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-(4-Benzyl-4-hydroxy-1-piperidinyl)-3-[(2S,3S)-5-chlor-2-(4-chlorphenyl)-1-methyl-2,3-dihydro-1H-indol-3-yl]-1-propanon [German] [ACD/IUPAC Name]
1-(4-Benzyl-4-hydroxy-1-piperidinyl)-3-[(2S,3S)-5-chloro-2-(4-chlorophenyl)-1-methyl-2,3-dihydro-1H-indol-3-yl]-1-propanone [ACD/IUPAC Name]
1-(4-Benzyl-4-hydroxy-1-pipéridinyl)-3-[(2S,3S)-5-chloro-2-(4-chlorophényl)-1-méthyl-2,3-dihydro-1H-indol-3-yl]-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 3-[(2S,3S)-5-chloro-2-(4-chlorophenyl)-2,3-dihydro-1-methyl-1H-indol-3-yl]-1-[4-hydroxy-4-(phenylmethyl)-1-piperidinyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 670.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 359.0±31.5 °C
Index of Refraction: 1.623
Molar Refractivity: 145.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.56
ACD/LogD (pH 5.5): 6.30
ACD/BCF (pH 5.5): 35804.80
ACD/KOC (pH 5.5): 62465.61
ACD/LogD (pH 7.4): 6.32
ACD/BCF (pH 7.4): 37460.91
ACD/KOC (pH 7.4): 65354.89
Polar Surface Area: 44 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 412.7±3.0 cm3

Click to predict properties on the Chemicalize site


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