ChemSpider 2D Image | {(3R)-1-[5-(Cyclohexylcarbamoyl)-6-(propylsulfanyl)-2-pyridinyl]-3-piperidinyl}acetic acid | C22H33N3O3S

{(3R)-1-[5-(Cyclohexylcarbamoyl)-6-(propylsulfanyl)-2-pyridinyl]-3-piperidinyl}acetic acid

  • Molecular FormulaC22H33N3O3S
  • Average mass419.581 Da
  • Monoisotopic mass419.224274 Da
  • ChemSpider ID28663870

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{(3R)-1-[5-(Cyclohexylcarbamoyl)-6-(propylsulfanyl)-2-pyridinyl]-3-piperidinyl}acetic acid [ACD/IUPAC Name]
{(3R)-1-[5-(Cyclohexylcarbamoyl)-6-(propylsulfanyl)-2-pyridinyl]-3-piperidinyl}essigsäure [German] [ACD/IUPAC Name]
3-Piperidineacetic acid, 1-[5-[(cyclohexylamino)carbonyl]-6-(propylthio)-2-pyridinyl]-, (3R)- [ACD/Index Name]
Acide {(3R)-1-[5-(cyclohexylcarbamoyl)-6-(propylsulfanyl)-2-pyridinyl]-3-pipéridinyl}acétique [French] [ACD/IUPAC Name]
{(3S)-1-[5-(Cyclohexylcarbamoyl)-6-(propylsulfanyl)pyridin-2-yl]piperidin-3-yl}acetic acid
1024033-43-9 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 654.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 349.8±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 116.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 96.68
ACD/KOC (pH 5.5): 493.88
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 1.91
ACD/KOC (pH 7.4): 9.75
Polar Surface Area: 108 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 342.4±5.0 cm3

Click to predict properties on the Chemicalize site


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