ChemSpider 2D Image | 11-{[{[3-(Ethoxycarbonyl)-4-(4-fluorophenyl)-5-methyl-2-thienyl]amino}(oxo)acetyl]amino}undecanoic acid | C27H35FN2O6S

11-{[{[3-(Ethoxycarbonyl)-4-(4-fluorophenyl)-5-methyl-2-thienyl]amino}(oxo)acetyl]amino}undecanoic acid

  • Molecular FormulaC27H35FN2O6S
  • Average mass534.640 Da
  • Monoisotopic mass534.219971 Da
  • ChemSpider ID112677316

More details:

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

11-{[{[3-(Ethoxycarbonyl)-4-(4-fluorophenyl)-5-methyl-2-thienyl]amino}(oxo)acetyl]amino}undecanoic acid [ACD/IUPAC Name]
11-{[{[3-(Ethoxycarbonyl)-4-(4-fluorphenyl)-5-methyl-2-thienyl]amino}(oxo)acetyl]amino}undecansäure [German] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-[[2-[(10-carboxydecyl)amino]-1,2-dioxoethyl]amino]-4-(4-fluorophenyl)-5-methyl-, 3-ethyl ester [ACD/Index Name]
Acide 11-[(2-{[3-(éthoxycarbonyl)-4-(4-fluorophényl)-5-méthyl-2-thiényl]amino}-2-oxoacétyl)amino]undécanoïque [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.562
Molar Refractivity: 140.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 7.46
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 5483.69
ACD/KOC (pH 5.5): 9809.10
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 87.87
ACD/KOC (pH 7.4): 157.18
Polar Surface Area: 150 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 434.3±3.0 cm3

Click to predict properties on the Chemicalize site


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