ChemSpider 2D Image | 3-{Isopropyl[(cis-4-methylcyclohexyl)carbonyl]amino}-5-phenyl-2-thiophenecarboxylic acid | C22H27NO3S

3-{Isopropyl[(cis-4-methylcyclohexyl)carbonyl]amino}-5-phenyl-2-thiophenecarboxylic acid

  • Molecular FormulaC22H27NO3S
  • Average mass385.520 Da
  • Monoisotopic mass385.171173 Da
  • ChemSpider ID26330357

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Thiophenecarboxylic acid, 3-[[(cis-4-methylcyclohexyl)carbonyl](1-methylethyl)amino]-5-phenyl- [ACD/Index Name]
3-{Isopropyl[(cis-4-methylcyclohexyl)carbonyl]amino}-5-phenyl-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
3-{Isopropyl[(cis-4-methylcyclohexyl)carbonyl]amino}-5-phenyl-2-thiophenecarboxylic acid [ACD/IUPAC Name]
3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
Acide 3-{isopropyl[(cis-4-méthylcyclohexyl)carbonyl]amino}-5-phényl-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
3-[N-isopropyl(1s,4s)-4-methylcyclohexaneamido]-5-phenylthiophene-2-carboxylic acid
5-phenyl-3-[N-(propan-2-yl)(1s,4s)-4-methylcyclohexaneamido]thiophene-2-carboxylic acid
5-phenyl-3-[N-(propan-2-yl)[(1s,4s)-4-methylcyclohexane]amido]thiophene-2-carboxylic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 581.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 305.6±30.1 °C
Index of Refraction: 1.594
Molar Refractivity: 110.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 183.44
ACD/KOC (pH 5.5): 460.77
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 9.61
ACD/KOC (pH 7.4): 24.15
Polar Surface Area: 86 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 324.3±3.0 cm3

Click to predict properties on the Chemicalize site


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