ChemSpider 2D Image | AZD4017 | C22H33N3O3S

AZD4017

  • Molecular FormulaC22H33N3O3S
  • Average mass419.581 Da
  • Monoisotopic mass419.224274 Da
  • ChemSpider ID28665037

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(3S)-1-[5-(Cyclohexylcarbamoyl)-6-(propylsulfanyl)pyridin-2-yl]piperidin-3-yl]acetic acid
{(3S)-1-[5-(Cyclohexylcarbamoyl)-6-(propylsulfanyl)-2-pyridinyl]-3-piperidinyl}acetic acid [ACD/IUPAC Name]
{(3S)-1-[5-(Cyclohexylcarbamoyl)-6-(propylsulfanyl)-2-pyridinyl]-3-piperidinyl}essigsäure [German] [ACD/IUPAC Name]
1024033-43-9 [RN]
2-[(3S)-1-[5-(CYCLOHEXYLCARBAMOYL)-6-(PROPYLSULFANYL)PYRIDIN-2-YL]PIPERIDIN-3-YL]ACETIC ACID
3JL137394Y
3-Piperidineacetic acid, 1-[5-[(cyclohexylamino)carbonyl]-6-(propylthio)-2-pyridinyl]-, (3S)- [ACD/Index Name]
Acide {(3S)-1-[5-(cyclohexylcarbamoyl)-6-(propylsulfanyl)-2-pyridinyl]-3-pipéridinyl}acétique [French] [ACD/IUPAC Name]
AZD4017
AZD-4017
More...

    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


    Advertisement