ChemSpider 2D Image | 2-{[4-(1-Ethyl-2-oxo-1,2,3,4-tetrahydro-6-quinolinyl)-1,3-thiazol-2-yl]carbamoyl}cyclohexanecarboxylic acid | C22H25N3O4S

2-{[4-(1-Ethyl-2-oxo-1,2,3,4-tetrahydro-6-quinolinyl)-1,3-thiazol-2-yl]carbamoyl}cyclohexanecarboxylic acid

  • Molecular FormulaC22H25N3O4S
  • Average mass427.517 Da
  • Monoisotopic mass427.156586 Da
  • ChemSpider ID67502850

More details:

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

2-{[4-(1-Ethyl-2-oxo-1,2,3,4-tetrahydro-6-chinolinyl)-1,3-thiazol-2-yl]carbamoyl}cyclohexancarbonsäure [German] [ACD/IUPAC Name]
2-{[4-(1-Ethyl-2-oxo-1,2,3,4-tetrahydro-6-quinolinyl)-1,3-thiazol-2-yl]carbamoyl}cyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide 2-{[4-(1-éthyl-2-oxo-1,2,3,4-tétrahydro-6-quinoléinyl)-1,3-thiazol-2-yl]carbamoyl}cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 2-[[[4-(1-ethyl-1,2,3,4-tetrahydro-2-oxo-6-quinolinyl)-2-thiazolyl]amino]carbonyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.636
Molar Refractivity: 113.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 14.15
ACD/KOC (pH 5.5): 110.89
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.64
Polar Surface Area: 128 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 64.1±3.0 dyne/cm
Molar Volume: 317.2±3.0 cm3

Click to predict properties on the Chemicalize site


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