ChemSpider 2D Image | Methyl 4-(4-cyclohexylphenyl)-2-{[4-(pentyloxy)benzoyl]amino}-3-thiophenecarboxylate | C30H35NO4S

Methyl 4-(4-cyclohexylphenyl)-2-{[4-(pentyloxy)benzoyl]amino}-3-thiophenecarboxylate

  • Molecular FormulaC30H35NO4S
  • Average mass505.668 Da
  • Monoisotopic mass505.228668 Da
  • ChemSpider ID3698150

More details:

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

3-Thiophenecarboxylic acid, 4-(4-cyclohexylphenyl)-2-[[4-(pentyloxy)benzoyl]amino]-, methyl ester [ACD/Index Name]
4-(4-Cyclohexylphényl)-2-{[4-(pentyloxy)benzoyl]amino}-3-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-(4-cyclohexylphenyl)-2-{[4-(pentyloxy)benzoyl]amino}-3-thiophenecarboxylate [ACD/IUPAC Name]
Methyl 4-(4-cyclohexylphenyl)-2-{[4-(pentyloxy)benzoyl]amino}thiophene-3-carboxylate
Methyl-4-(4-cyclohexylphenyl)-2-{[4-(pentyloxy)benzoyl]amino}-3-thiophencarboxylat [German] [ACD/IUPAC Name]
4-(4-Cyclohexyl-phenyl)-2-(4-pentyloxy-benzoylamino)-thiophene-3-carboxylic acid methyl ester
methyl 4-(4-cyclohexylphenyl)-2-({[4-(pentyloxy)phenyl]carbonyl}amino)thiophene-3-carboxylate
methyl 4-(4-cyclohexylphenyl)-2-(4-(pentyloxy)benzamido)thiophene-3-carboxylate
methyl 4-(4-cyclohexylphenyl)-2-[(4-pentyloxyphenyl)carbonylamino]thiophene-3-carboxylate
METHYL 4-(4-CYCLOHEXYLPHENYL)-2-[4-(PENTYLOXY)BENZAMIDO]THIOPHENE-3-CARBOXYLATE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 591.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 88.2±3.0 kJ/mol
    Flash Point: 311.2±30.1 °C
    Index of Refraction: 1.594
    Molar Refractivity: 146.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 10.25
    ACD/LogD (pH 5.5): 8.64
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 1192904.88
    ACD/LogD (pH 7.4): 8.64
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 1192900.88
    Polar Surface Area: 93 Å2
    Polarizability: 58.1±0.5 10-24cm3
    Surface Tension: 46.8±3.0 dyne/cm
    Molar Volume: 432.2±3.0 cm3

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