ChemSpider 2D Image | Ethyl 4-[(4-{[(2E)-5-(ethoxycarbonyl)-3,4-dimethyl-1,3-thiazol-2(3H)-ylidene]carbamoyl}phenyl)sulfonyl]-1-piperazinecarboxylate | C22H28N4O7S2

Ethyl 4-[(4-{[(2E)-5-(ethoxycarbonyl)-3,4-dimethyl-1,3-thiazol-2(3H)-ylidene]carbamoyl}phenyl)sulfonyl]-1-piperazinecarboxylate

  • Molecular FormulaC22H28N4O7S2
  • Average mass524.610 Da
  • Monoisotopic mass524.139954 Da
  • ChemSpider ID18377653

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Piperazinecarboxylic acid, 4-[[4-[[[(2E)-5-(ethoxycarbonyl)-3,4-dimethyl-2(3H)-thiazolylidene]amino]carbonyl]phenyl]sulfonyl]-, ethyl ester [ACD/Index Name]
4-[(4-{[(2E)-5-(Éthoxycarbonyl)-3,4-diméthyl-1,3-thiazol-2(3H)-ylidène]carbamoyl}phényl)sulfonyl]-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[(4-{[(2E)-5-(ethoxycarbonyl)-3,4-dimethyl-1,3-thiazol-2(3H)-ylidene]carbamoyl}phenyl)sulfonyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[(4-{[(2E)-5-(ethoxycarbonyl)-3,4-dimethyl-1,3-thiazol-2(3H)-yliden]carbamoyl}phenyl)sulfonyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
(E)-ethyl 2-((4-((4-(ethoxycarbonyl)piperazin-1-yl)sulfonyl)benzoyl)imino)-3,4-dimethyl-2,3-dihydrothiazole-5-carboxylate
398999-25-2 [RN]
ethyl (E)-2-((4-((4-(ethoxycarbonyl)piperazin-1-yl)sulfonyl)benzoyl)imino)-3,4-dimethyl-2,3-dihydrothiazole-5-carboxylate
ethyl 4-(4-{[(2E)-5-(ethoxycarbonyl)-3,4-dimethyl-2,3-dihydro-1,3-thiazol-2-ylidene]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 667.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.1±3.0 kJ/mol
    Flash Point: 357.3±34.3 °C
    Index of Refraction: 1.632
    Molar Refractivity: 133.4±0.5 cm3
    #H bond acceptors: 11
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 2.45
    ACD/LogD (pH 5.5): 2.02
    ACD/BCF (pH 5.5): 20.10
    ACD/KOC (pH 5.5): 298.18
    ACD/LogD (pH 7.4): 2.02
    ACD/BCF (pH 7.4): 20.10
    ACD/KOC (pH 7.4): 298.18
    Polar Surface Area: 160 Å2
    Polarizability: 52.9±0.5 10-24cm3
    Surface Tension: 54.8±7.0 dyne/cm
    Molar Volume: 374.0±7.0 cm3

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