Found 7 results

Search term: MF = 'C_{34}H_{38}Cl_{2}N_{2}O_{5}S'
ChemSpider 2D Image | {(3R,5R,6S)-5-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-(2,3-dihydro-1H-indol-1-ylsulfonyl)-3,3-dimethyl-2-butanyl]-3-methyl-2-oxo-3-piperidinyl}acetic acid | C34H38Cl2N2O5S

{(3R,5R,6S)-5-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-(2,3-dihydro-1H-indol-1-ylsulfonyl)-3,3-dimethyl-2-butanyl]-3-methyl-2-oxo-3-piperidinyl}acetic acid

  • Molecular FormulaC34H38Cl2N2O5S
  • Average mass657.647 Da
  • Monoisotopic mass656.187866 Da
  • ChemSpider ID58136711

  • defined stereocentres - 4 of 4 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-[(2S)-1-(2,3-dihydro-1H-indol-1-ylsulfonyl)-3,3-dimethyl-2-butanyl]-3-methyl-2-oxo-3-piperidinyl}acetic acid [ACD/IUPAC Name]
{(3R,5R,6S)-5-(3-Chlorphenyl)-6-(4-chlorphenyl)-1-[(2S)-1-(2,3-dihydro-1H-indol-1-ylsulfonyl)-3,3-dimethyl-2-butanyl]-3-methyl-2-oxo-3-piperidinyl}essigsäure [German] [ACD/IUPAC Name]
3-Piperidineacetic acid, 5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-[[(2,3-dihydro-1H-indol-1-yl)sulfonyl]methyl]-2,2-dimethylpropyl]-3-methyl-2-oxo-, (3R,5R,6S)- [ACD/Index Name]
Acide {(3R,5R,6S)-5-(3-chlorophényl)-6-(4-chlorophényl)-1-[(2S)-1-(2,3-dihydro-1H-indol-1-ylsulfonyl)-3,3-diméthyl-2-butanyl]-3-méthyl-2-oxo-3-pipéridinyl}acétique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 786.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 429.5±35.7 °C
Index of Refraction: 1.650
Molar Refractivity: 174.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.74
ACD/LogD (pH 5.5): 5.46
ACD/BCF (pH 5.5): 4204.32
ACD/KOC (pH 5.5): 6091.66
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 68.80
ACD/KOC (pH 7.4): 99.68
Polar Surface Area: 103 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 477.4±5.0 cm3

Click to predict properties on the Chemicalize site


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