ChemSpider 2D Image | (3S)-3-(1-Acetyl-3-piperidinyl)-6-chloro-3-(3-chlorobenzyl)-1,3-dihydro-2H-indol-2-one | C22H22Cl2N2O2

(3S)-3-(1-Acetyl-3-piperidinyl)-6-chloro-3-(3-chlorobenzyl)-1,3-dihydro-2H-indol-2-one

  • Molecular FormulaC22H22Cl2N2O2
  • Average mass417.328 Da
  • Monoisotopic mass416.105835 Da
  • ChemSpider ID58129008

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3S)-3-(1-Acetyl-3-piperidinyl)-6-chlor-3-(3-chlorbenzyl)-1,3-dihydro-2H-indol-2-on [German] [ACD/IUPAC Name]
(3S)-3-(1-Acetyl-3-piperidinyl)-6-chloro-3-(3-chlorobenzyl)-1,3-dihydro-2H-indol-2-one [ACD/IUPAC Name]
(3S)-3-(1-Acétyl-3-pipéridinyl)-6-chloro-3-(3-chlorobenzyl)-1,3-dihydro-2H-indol-2-one [French] [ACD/IUPAC Name]
2H-Indol-2-one, 3-(1-acetyl-3-piperidinyl)-6-chloro-3-[(3-chlorophenyl)methyl]-1,3-dihydro-, (3S)- [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: 608.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 321.7±31.5 °C
Index of Refraction: 1.618
Molar Refractivity: 110.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 5.11
ACD/BCF (pH 5.5): 4542.17
ACD/KOC (pH 5.5): 14436.50
ACD/LogD (pH 7.4): 5.11
ACD/BCF (pH 7.4): 4542.16
ACD/KOC (pH 7.4): 14436.49
Polar Surface Area: 49 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 314.1±3.0 cm3

Click to predict properties on the Chemicalize site


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