ChemSpider 2D Image | Ethyl 2-{[4-(4-benzyl-1-piperazinyl)-3-nitrobenzoyl]amino}-5-ethyl-3-thiophenecarboxylate | C27H30N4O5S

Ethyl 2-{[4-(4-benzyl-1-piperazinyl)-3-nitrobenzoyl]amino}-5-ethyl-3-thiophenecarboxylate

  • Molecular FormulaC27H30N4O5S
  • Average mass522.616 Da
  • Monoisotopic mass522.193665 Da
  • ChemSpider ID2156479

More details:

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

2-{[4-(4-Benzyl-1-pipérazinyl)-3-nitrobenzoyl]amino}-5-éthyl-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 5-ethyl-2-[[3-nitro-4-[4-(phenylmethyl)-1-piperazinyl]benzoyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 2-{[4-(4-benzyl-1-piperazinyl)-3-nitrobenzoyl]amino}-5-ethyl-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl 2-{[4-(4-benzylpiperazin-1-yl)-3-nitrobenzoyl]amino}-5-ethylthiophene-3-carboxylate
Ethyl-2-{[4-(4-benzyl-1-piperazinyl)-3-nitrobenzoyl]amino}-5-ethyl-3-thiophencarboxylat [German] [ACD/IUPAC Name]
2-[4-(4-Benzyl-piperazin-1-yl)-3-nitro-benzoylamino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester
309728-02-7 [RN]
ethyl 2-({[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]carbonyl}amino)-5-ethylthiophene-3-carboxylate
ethyl 2-[[4-(4-benzylpiperazin-1-yl)-3-nitrobenzoyl]amino]-5-ethylthiophene-3-carboxylate
ETHYL 2-[4-(4-BENZYLPIPERAZIN-1-YL)-3-NITROBENZAMIDO]-5-ETHYLTHIOPHENE-3-CARBOXYLATE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A2235/0094053 [DBID]
BAS 01513858 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 631.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 93.4±3.0 kJ/mol
    Flash Point: 335.9±31.5 °C
    Index of Refraction: 1.646
    Molar Refractivity: 144.7±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 7.75
    ACD/LogD (pH 5.5): 5.07
    ACD/BCF (pH 5.5): 3149.74
    ACD/KOC (pH 5.5): 7929.01
    ACD/LogD (pH 7.4): 5.57
    ACD/BCF (pH 7.4): 10028.15
    ACD/KOC (pH 7.4): 25244.39
    Polar Surface Area: 136 Å2
    Polarizability: 57.3±0.5 10-24cm3
    Surface Tension: 60.4±3.0 dyne/cm
    Molar Volume: 398.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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