ChemSpider 2D Image | N-(6-Benzyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-chloropropanamide | C18H18ClN3OS

N-(6-Benzyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-chloropropanamide

  • Molecular FormulaC18H18ClN3OS
  • Average mass359.873 Da
  • Monoisotopic mass359.085907 Da
  • ChemSpider ID27444443

More details:

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

N-(6-Benzyl-3-cyan-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-chlorpropanamid [German] [ACD/IUPAC Name]
N-(6-Benzyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-chloropropanamide [ACD/IUPAC Name]
N-(6-Benzyl-3-cyano-4,5,6,7-tétrahydrothiéno[2,3-c]pyridin-2-yl)-2-chloropropanamide [French] [ACD/IUPAC Name]
Propanamide, 2-chloro-N-[3-cyano-4,5,6,7-tetrahydro-6-(phenylmethyl)thieno[2,3-c]pyridin-2-yl]- [ACD/Index Name]
1365964-20-0 [RN]
MFCD22056576 [MDL number]
N-(6-Benzyl-3-cyano-4,5,6,7-tetrahydrothieno-[2,3-c]pyridin-2-yl)-2-chloropropanamide
N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-chloropropanamide
propanamide, 2-chloro-N-[3-cyano-4,5,6,7-tetrahydro-6-(phenylmethyl)thieno[2,3-c]pyridin-2-yl]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 564.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.9±3.0 kJ/mol
    Flash Point: 295.4±30.1 °C
    Index of Refraction: 1.644
    Molar Refractivity: 97.0±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.56
    ACD/LogD (pH 5.5): 2.66
    ACD/BCF (pH 5.5): 46.87
    ACD/KOC (pH 5.5): 390.57
    ACD/LogD (pH 7.4): 3.16
    ACD/BCF (pH 7.4): 148.67
    ACD/KOC (pH 7.4): 1238.80
    Polar Surface Area: 84 Å2
    Polarizability: 38.5±0.5 10-24cm3
    Surface Tension: 62.9±5.0 dyne/cm
    Molar Volume: 267.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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