ChemSpider 2D Image | 2-Phenylethyl 4-[({2-[4-(benzoylamino)benzoyl]hydrazino}carbonothioyl)amino]-4-oxobutanoate | C27H26N4O5S

2-Phenylethyl 4-[({2-[4-(benzoylamino)benzoyl]hydrazino}carbonothioyl)amino]-4-oxobutanoate

  • Molecular FormulaC27H26N4O5S
  • Average mass518.584 Da
  • Monoisotopic mass518.162415 Da
  • ChemSpider ID4129041

More details:

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

2-Phenylethyl 4-[({2-[4-(benzoylamino)benzoyl]hydrazino}carbonothioyl)amino]-4-oxobutanoate [ACD/IUPAC Name]
2-Phenylethyl-4-[({2-[4-(benzoylamino)benzoyl]hydrazino}carbonothioyl)amino]-4-oxobutanoat [German] [ACD/IUPAC Name]
4-[({2-[4-(Benzoylamino)benzoyl]hydrazino}carbonothioyl)amino]-4-oxobutanoate de 2-phényléthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(benzoylamino)-, 2-[[[1,4-dioxo-4-(2-phenylethoxy)butyl]amino]thioxomethyl]hydrazide [ACD/Index Name]
2-phenylethyl 3-{N-[({[4-(phenylcarbonylamino)phenyl]carbonylamino}amino)thioxomethyl]carbamoyl}propanoate
2-phenylethyl 4-[[(4-benzamidobenzoyl)amino]carbamothioylamino]-4-oxobutanoate
2-phenylethyl 4-oxo-4-({[2-({4-[(phenylcarbonyl)amino]phenyl}carbonyl)hydrazinyl]carbonothioyl}amino)butanoate
816435-13-9 [RN]
MFCD05880370
N-[N'-(4-Benzoylamino-benzoyl)-hydrazinocarbothioyl]-succinamic acid phenethyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.651
    Molar Refractivity: 143.0±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 4
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 1
    ACD/LogP: 3.72
    ACD/LogD (pH 5.5): 2.94
    ACD/BCF (pH 5.5): 100.67
    ACD/KOC (pH 5.5): 942.14
    ACD/LogD (pH 7.4): 2.70
    ACD/BCF (pH 7.4): 58.32
    ACD/KOC (pH 7.4): 545.79
    Polar Surface Area: 158 Å2
    Polarizability: 56.7±0.5 10-24cm3
    Surface Tension: 63.0±3.0 dyne/cm
    Molar Volume: 391.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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