ChemSpider 2D Image | CP-547632 | C20H24BrF2N5O3S

CP-547632

  • Molecular FormulaC20H24BrF2N5O3S
  • Average mass532.402 Da
  • Monoisotopic mass531.075134 Da
  • ChemSpider ID7987366

More details:

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

252003-65-9 [RN]
3-(4-bromo-2,6-difluorobenzyloxy)-5-(3-(4-pyrrolidin-1-ylbutyl)ureido)isothiazole-4-carboxylic acid amide
3-[(4-Brom-2,6-difluorbenzyl)oxy]-5-({[4-(1-pyrrolidinyl)butyl]carbamoyl}amino)-1,2-thiazol-4-carboxamid [German] [ACD/IUPAC Name]
3-[(4-Bromo-2,6-difluorobenzyl)oxy]-5-({[4-(1-pyrrolidinyl)butyl]carbamoyl}amino)-1,2-thiazole-4-carboxamide [ACD/IUPAC Name]
3-[(4-Bromo-2,6-difluorobenzyl)oxy]-5-({[4-(1-pyrrolidinyl)butyl]carbamoyl}amino)-1,2-thiazole-4-carboxamide [French] [ACD/IUPAC Name]
3-[(4-bromo-2,6-difluorobenzyl)oxy]-5-({[4-(pyrrolidin-1-yl)butyl]carbamoyl}amino)-1,2-thiazole-4-carboxamide
3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-({[4-(pyrrolidin-1-yl)butyl]carbamoyl}amino)-1,2-thiazole-4-carboxamide
4-Isothiazolecarboxamide, 3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-[[[[4-(1-pyrrolidinyl)butyl]amino]carbonyl]amino]- [ACD/Index Name]
CP 547,632
CP-547632
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 548.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.8±3.0 kJ/mol
    Flash Point: 285.6±30.1 °C
    Index of Refraction: 1.622
    Molar Refractivity: 122.3±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 4
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 3.69
    ACD/LogD (pH 5.5): -0.02
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.33
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.03
    Polar Surface Area: 138 Å2
    Polarizability: 48.5±0.5 10-24cm3
    Surface Tension: 62.0±3.0 dyne/cm
    Molar Volume: 347.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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