ChemSpider 2D Image | compound 1 [PMID: 23589301] | C23H20Cl2N2O3S

compound 1 [PMID: 23589301]

  • Molecular FormulaC23H20Cl2N2O3S
  • Average mass475.388 Da
  • Monoisotopic mass474.057159 Da
  • ChemSpider ID34980806

More details:

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

3-Benzyl-4-{cyclopropyl[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]amino}-4-oxobutanoic acid [ACD/IUPAC Name]
3-Benzyl-4-{cyclopropyl[4-(2,5-dichlorphenyl)-1,3-thiazol-2-yl]amino}-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 3-benzyl-4-{cyclopropyl[4-(2,5-dichlorophényl)-1,3-thiazol-2-yl]amino}-4-oxobutanoïque [French] [ACD/IUPAC Name]
Benzenebutanoic acid, β-[[cyclopropyl[4-(2,5-dichlorophenyl)-2-thiazolyl]amino]carbonyl]- [ACD/Index Name]
compound 1 [PMID: 23589301]
3-{cyclopropyl[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]carbamoyl}-4-phenylbutanoic acid
FFA2-Agonist-1

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

Density: 1.5±0.1 g/cm3
Boiling Point: 635.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 338.0±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 123.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 430.30
ACD/KOC (pH 5.5): 1348.40
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 6.78
ACD/KOC (pH 7.4): 21.26
Polar Surface Area: 99 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 66.3±3.0 dyne/cm
Molar Volume: 327.5±3.0 cm3

Click to predict properties on the Chemicalize site


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