ChemSpider 2D Image | JD5037 | C27H27Cl2N5O3S

JD5037

  • Molecular FormulaC27H27Cl2N5O3S
  • Average mass572.506 Da
  • Monoisotopic mass571.121155 Da
  • ChemSpider ID28663876

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-[(E)-[(4-chlorobenzenesulfonamido)[(4S)-3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl]methylidene]amino]-3-methylbutanamide
(2S)-2-[(E)-[(4-chlorobenzenesulfonamido)[(4S)-3-(4-chlorophenyl)-4-phenyl-4,5-dihydropyrazol-1-yl]methylidene]amino]-3-methylbutanamide
(E)-N2-([(4S)-3-(4-Chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl]{[(4-chlorophenyl)sulfonyl]amino}methylene)-L-valinamide [ACD/IUPAC Name]
(E)-N2-([(4S)-3-(4-Chlorophényl)-4-phényl-4,5-dihydro-1H-pyrazol-1-yl]{[(4-chlorophényl)sulfonyl]amino}méthylène)-L-valinamide [French] [ACD/IUPAC Name]
(E)-N2-([(4S)-3-(4-Chlorphenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl]{[(4-chlorphenyl)sulfonyl]amino}methylen)-L-valinamid [German] [ACD/IUPAC Name]
1392116-14-1 [RN]
Butanamide, 2-[[(E)-[(4S)-3-(4-chlorophenyl)-4,5-dihydro-4-phenyl-1H-pyrazol-1-yl][[(4-chlorophenyl)sulfonyl]imino]methyl]amino]-3-methyl-, (2S)- [ACD/Index Name]
JD5037 [Wiki]
(1-Phenylpiperidin-4-yl)methanol [ACD/IUPAC Name]
(2S)-2-[[[(4S)-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-[(4-chlorophenyl)sulfonylamino]methylidene]amino]-3-methylbutanamide
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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: 731.3±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 106.7±3.0 kJ/mol
    Flash Point: 396.1±35.7 °C
    Index of Refraction: 1.662
    Molar Refractivity: 151.3±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 4.58
    ACD/LogD (pH 5.5): 3.95
    ACD/BCF (pH 5.5): 596.30
    ACD/KOC (pH 5.5): 3375.03
    ACD/LogD (pH 7.4): 3.95
    ACD/BCF (pH 7.4): 596.30
    ACD/KOC (pH 7.4): 3375.04
    Polar Surface Area: 126 Å2
    Polarizability: 60.0±0.5 10-24cm3
    Surface Tension: 54.0±7.0 dyne/cm
    Molar Volume: 408.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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