ChemSpider 2D Image | 1-[(2,2-Dimethylpropanoyl)oxy]ethyl 3-{[(4-methylcyclohexyl)carbonyl](1-methyl-4-piperidinyl)amino}-5-phenyl-2-thiophenecarboxylate | C32H44N2O5S

1-[(2,2-Dimethylpropanoyl)oxy]ethyl 3-{[(4-methylcyclohexyl)carbonyl](1-methyl-4-piperidinyl)amino}-5-phenyl-2-thiophenecarboxylate

  • Molecular FormulaC32H44N2O5S
  • Average mass568.767 Da
  • Monoisotopic mass568.297119 Da
  • ChemSpider ID8229952

More details:

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

1-[(2,2-Dimethylpropanoyl)oxy]ethyl 3-{[(4-methylcyclohexyl)carbonyl](1-methyl-4-piperidinyl)amino}-5-phenyl-2-thiophenecarboxylate [ACD/IUPAC Name]
1-[(2,2-Dimethylpropanoyl)oxy]ethyl-3-{[(4-methylcyclohexyl)carbonyl](1-methyl-4-piperidinyl)amino}-5-phenyl-2-thiophencarboxylat [German] [ACD/IUPAC Name]
2-Thiophenecarboxylic acid, 3-[[(4-methylcyclohexyl)carbonyl](1-methyl-4-piperidinyl)amino]-5-phenyl-, 1-(2,2-dimethyl-1-oxopropoxy)ethyl ester [ACD/Index Name]
3-{[(4-Méthylcyclohexyl)carbonyl](1-méthyl-4-pipéridinyl)amino}-5-phényl-2-thiophènecarboxylate de 1-[(2,2-diméthylpropanoyl)oxy]éthyle [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: 679.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 364.5±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 159.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.77
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 76.50
ACD/KOC (pH 5.5): 129.70
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 3230.31
ACD/KOC (pH 7.4): 5476.52
Polar Surface Area: 104 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 492.7±3.0 cm3

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