ChemSpider 2D Image | S-[2-(2-Ethylbutyl)-2-formamidocyclohexyl] 2-methyl-2-phenylpropanethioate | C23H35NO2S

S-[2-(2-Ethylbutyl)-2-formamidocyclohexyl] 2-methyl-2-phenylpropanethioate

  • Molecular FormulaC23H35NO2S
  • Average mass389.595 Da
  • Monoisotopic mass389.238861 Da
  • ChemSpider ID24764931

More details:

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

2-Méthyl-2-phénylpropanethioate de S-[2-(2-éthylbutyl)-2-formamidocyclohexyle] [French] [ACD/IUPAC Name]
2-Methylpropanethioic acid S-[2-[1-(2-ethylbutyl)cyclohexylcarboxamido]phenyl] ester
Benzeneethanethioic acid, α,α-dimethyl-, S-[2-(2-ethylbutyl)-2-(formylamino)cyclohexyl] ester [ACD/Index Name]
S-[2-(2-Ethylbutyl)-2-formamidocyclohexyl] 2-methyl-2-phenylpropanethioate [ACD/IUPAC Name]
S-[2-(2-Ethylbutyl)-2-formamidocyclohexyl]-2-methyl-2-phenylpropanthioat [German] [ACD/IUPAC Name]
211513-37-0 [RN]
2-Methylpropanethioic acid S-[2-[1-(2-ethylbutyl)cyclohexylcarboxamido]phenyl]ester
Dalcetrapib [USAN] [Wiki]
N-[1-(2-ETHYLBUTYL)-2-[(2-METHYL-2-PHENYLPROPANOYL)SULFANYL]CYCLOHEXYL]FORMAMIDE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 536.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 278.0±27.3 °C
Index of Refraction: 1.543
Molar Refractivity: 115.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 5.91
ACD/BCF (pH 5.5): 18115.68
ACD/KOC (pH 5.5): 38859.96
ACD/LogD (pH 7.4): 5.91
ACD/BCF (pH 7.4): 18115.68
ACD/KOC (pH 7.4): 38859.96
Polar Surface Area: 71 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 43.0±5.0 dyne/cm
Molar Volume: 366.6±5.0 cm3

Click to predict properties on the Chemicalize site


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