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
C30H35NO4S
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
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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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