ChemSpider 2D Image | Ethyl 2-({5-nitro-2-[(3-phenylpropyl)amino]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C27H29N3O5S

Ethyl 2-({5-nitro-2-[(3-phenylpropyl)amino]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC27H29N3O5S
  • Average mass507.601 Da
  • Monoisotopic mass507.182800 Da
  • ChemSpider ID2388173

More details:

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

2-({5-Nitro-2-[(3-phénylpropyl)amino]benzoyl}amino)-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[5-nitro-2-[(3-phenylpropyl)amino]benzoyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 2-({5-nitro-2-[(3-phenylpropyl)amino]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-({5-nitro-2-[(3-phenylpropyl)amino]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]
2-[5-Nitro-2-(3-phenyl-propylamino)-benzoylamino]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester
332869-71-3 [RN]
ethyl 2-({5-nitro-2-[(3-phenylpropyl)amino]phenyl}carbonylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
ethyl 2-[({5-nitro-2-[(3-phenylpropyl)amino]phenyl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[[5-nitro-2-(3-phenylpropylamino)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

A2313/0097560 [DBID]
BAS 01900799 [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: 661.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 97.3±3.0 kJ/mol
    Flash Point: 353.9±31.5 °C
    Index of Refraction: 1.663
    Molar Refractivity: 142.3±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 9.93
    ACD/LogD (pH 5.5): 7.77
    ACD/BCF (pH 5.5): 471565.50
    ACD/KOC (pH 5.5): 400583.53
    ACD/LogD (pH 7.4): 7.77
    ACD/BCF (pH 7.4): 471547.38
    ACD/KOC (pH 7.4): 400568.13
    Polar Surface Area: 141 Å2
    Polarizability: 56.4±0.5 10-24cm3
    Surface Tension: 59.6±3.0 dyne/cm
    Molar Volume: 384.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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