ChemSpider 2D Image | (3R)-1-{4-[{4-Chloro-2-[(S)-(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}-3-piperidinecarboxylic acid | C28H34Cl2N2O5

(3R)-1-{4-[{4-Chloro-2-[(S)-(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}-3-piperidinecarboxylic acid

  • Molecular FormulaC28H34Cl2N2O5
  • Average mass549.486 Da
  • Monoisotopic mass548.184448 Da
  • ChemSpider ID26326527

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-1-{4-[{4-Chlor-2-[(S)-(2-chlorphenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}-3-piperidincarbonsäure [German] [ACD/IUPAC Name]
(3R)-1-{4-[{4-Chloro-2-[(S)-(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}-3-piperidinecarboxylic acid [ACD/IUPAC Name]
(3r)-1-{4-[{4-Chloro-2-[(S)-(2-Chlorophenyl)(Hydroxy)methyl]phenyl}(2,2-Dimethylpropyl)amino]-4-Oxobutanoyl}piperidine-3-Carboxylic Acid
3-Piperidinecarboxylic acid, 1-[4-[[4-chloro-2-[(S)-(2-chlorophenyl)hydroxymethyl]phenyl](2,2-dimethylpropyl)amino]-1,4-dioxobutyl]-, (3R)- [ACD/Index Name]
Acide (3R)-1-{4-[{4-chloro-2-[(S)-(2-chlorophényl)(hydroxy)méthyl]phényl}(2,2-diméthylpropyl)amino]-4-oxobutanoyl}-3-pipéridinecarboxylique [French] [ACD/IUPAC Name]
D99

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

Density: 1.3±0.1 g/cm3
Boiling Point: 756.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.6±3.0 kJ/mol
Flash Point: 411.1±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 144.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 73.39
ACD/KOC (pH 5.5): 369.55
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 1.16
ACD/KOC (pH 7.4): 5.85
Polar Surface Area: 98 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 421.2±3.0 cm3

Click to predict properties on the Chemicalize site


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