ChemSpider 2D Image | [(3R,5R,6S)-5-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxo-3-piperidinyl]acetic acid | C23H23Cl2NO3

[(3R,5R,6S)-5-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxo-3-piperidinyl]acetic acid

  • Molecular FormulaC23H23Cl2NO3
  • Average mass432.340 Da
  • Monoisotopic mass431.105499 Da
  • ChemSpider ID28665955

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(3R,5R,6S)-5-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxo-3-piperidinyl]acetic acid [ACD/IUPAC Name]
[(3r,5r,6s)-5-(3-Chlorophenyl)-6-(4-Chlorophenyl)-1-(Cyclopropylmethyl)-2-Oxopiperidin-3-Yl]acetic Acid
[(3R,5R,6S)-5-(3-Chlorphenyl)-6-(4-chlorphenyl)-1-(cyclopropylmethyl)-2-oxo-3-piperidinyl]essigsäure [German] [ACD/IUPAC Name]
3-Piperidineacetic acid, 5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxo-, (3R,5R,6S)- [ACD/Index Name]
Acide [(3R,5R,6S)-5-(3-chlorophényl)-6-(4-chlorophényl)-1-(cyclopropylméthyl)-2-oxo-3-pipéridinyl]acétique [French] [ACD/IUPAC Name]
13Q

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

Density: 1.3±0.1 g/cm3
Boiling Point: 618.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 327.7±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 112.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 253.02
ACD/KOC (pH 5.5): 813.72
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 4.14
ACD/KOC (pH 7.4): 13.32
Polar Surface Area: 58 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 325.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement