ChemSpider 2D Image | (1R,2S)-2-[(2-{4-[(4-Ethoxyphenyl)amino]-4-oxobutanoyl}hydrazino)carbonyl]cyclohexanecarboxylic acid | C20H27N3O6

(1R,2S)-2-[(2-{4-[(4-Ethoxyphenyl)amino]-4-oxobutanoyl}hydrazino)carbonyl]cyclohexanecarboxylic acid

  • Molecular FormulaC20H27N3O6
  • Average mass405.445 Da
  • Monoisotopic mass405.189972 Da
  • ChemSpider ID21825715

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2S)-2-[(2-{4-[(4-Ethoxyphenyl)amino]-4-oxobutanoyl}hydrazino)carbonyl]cyclohexancarbonsäure [German] [ACD/IUPAC Name]
(1R,2S)-2-[(2-{4-[(4-Ethoxyphenyl)amino]-4-oxobutanoyl}hydrazino)carbonyl]cyclohexanecarboxylic acid [ACD/IUPAC Name]
1,2-Cyclohexanedicarboxylic acid, mono[2-[4-[(4-ethoxyphenyl)amino]-1,4-dioxobutyl]hydrazide], (1S,2R)- [ACD/Index Name]
Acide (1R,2S)-2-[(2-{4-[(4-éthoxyphényl)amino]-4-oxobutanoyl}hydrazino)carbonyl]cyclohexanecarboxylique [French] [ACD/IUPAC Name]
(1R,2S)-2-(2-(4-((4-ethoxyphenyl)amino)-4-oxobutanoyl)hydrazinecarbonyl)cyclohexanecarboxylic acid
(1R,2S)-2-[(2-{4-[(4-ethoxyphenyl)amino]-4-oxobutanoyl}hydrazinyl)carbonyl]cyclohexanecarboxylic acid
(1R,2S)-2-[[[4-(4-ethoxyanilino)-4-oxobutanoyl]amino]carbamoyl]cyclohexane-1-carboxylic acid
1217666-73-3 [RN]
2-{N'-[3-(4-Ethoxy-phenylcarbamoyl)-propionyl]-hydrazinocarbonyl}-cyclohexanecarboxylic acid

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 765.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 117.0±3.0 kJ/mol
    Flash Point: 417.0±32.9 °C
    Index of Refraction: 1.577
    Molar Refractivity: 104.6±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 4
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 1.35
    ACD/LogD (pH 5.5): -0.03
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.51
    ACD/LogD (pH 7.4): -1.83
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 134 Å2
    Polarizability: 41.5±0.5 10-24cm3
    Surface Tension: 58.2±3.0 dyne/cm
    Molar Volume: 315.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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