ChemSpider 2D Image | 4-(1-{2-[1-(Cyclopropylmethyl)-3-(3,4-dichlorophenyl)-6-oxo-3-piperidinyl]ethyl}-3-azetidinyl)-1-piperazinesulfonamide | C24H35Cl2N5O3S

4-(1-{2-[1-(Cyclopropylmethyl)-3-(3,4-dichlorophenyl)-6-oxo-3-piperidinyl]ethyl}-3-azetidinyl)-1-piperazinesulfonamide

  • Molecular FormulaC24H35Cl2N5O3S
  • Average mass544.537 Da
  • Monoisotopic mass543.183777 Da
  • ChemSpider ID13807373

More details:

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

1-Piperazinesulfonamide, 4-[1-[2-[1-(cyclopropylmethyl)-3-(3,4-dichlorophenyl)-6-oxo-3-piperidinyl]ethyl]-3-azetidinyl]- [ACD/Index Name]
4-(1-{2-[1-(Cyclopropylmethyl)-3-(3,4-dichlorophenyl)-6-oxo-3-piperidinyl]ethyl}-3-azetidinyl)-1-piperazinesulfonamide [ACD/IUPAC Name]
4-(1-{2-[1-(Cyclopropylméthyl)-3-(3,4-dichlorophényl)-6-oxo-3-pipéridinyl]éthyl}-3-azétidinyl)-1-pipérazinesulfonamide [French] [ACD/IUPAC Name]
4-(1-{2-[1-(cyclopropylmethyl)-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]ethyl}azetidin-3-yl)piperazine-1-sulfonamide
4-(1-{2-[1-(Cyclopropylmethyl)-3-(3,4-dichlorphenyl)-6-oxo-3-piperidinyl]ethyl}-3-azetidinyl)-1-piperazinsulfonamid [German] [ACD/IUPAC Name]
178310-77-5 [RN]
4-(1-{2-[1-Cyclopropylmethyl-3-(3,4-dichloro-phenyl)-6-oxo-piperidin-3-yl]-ethyl}-azetidin-3-yl)-piperazine-1-sulfonic acid amide
4-[1-[2-[1-(cyclopropylmethyl)-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]ethyl]azetidin-3-yl]piperazine-1-sulfonamide
MFCD31382107
tachykinin angatonist 1
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 710.6±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 103.9±3.0 kJ/mol
    Flash Point: 383.6±35.7 °C
    Index of Refraction: 1.663
    Molar Refractivity: 139.6±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 0.93
    ACD/LogD (pH 5.5): -1.56
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.54
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.42
    Polar Surface Area: 99 Å2
    Polarizability: 55.4±0.5 10-24cm3
    Surface Tension: 70.8±5.0 dyne/cm
    Molar Volume: 376.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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