ChemSpider 2D Image | Bis(cyclohexylmethyl) 4-[1-anilino-2-(methylsulfanyl)-1H-imidazol-5-yl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate | C33H44N4O4S

Bis(cyclohexylmethyl) 4-[1-anilino-2-(methylsulfanyl)-1H-imidazol-5-yl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC33H44N4O4S
  • Average mass592.792 Da
  • Monoisotopic mass592.308350 Da
  • ChemSpider ID31121947

More details:

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

3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-[2-(methylthio)-1-(phenylamino)-1H-imidazol-5-yl]-, bis(cyclohexylmethyl) ester [ACD/Index Name]
4-[1-Anilino-2-(méthylsulfanyl)-1H-imidazol-5-yl]-2,6-diméthyl-1,4-dihydro-3,5-pyridinedicarboxylate de bis(cyclohexylméthyle) [French] [ACD/IUPAC Name]
Bis(cyclohexylmethyl) 4-[1-anilino-2-(methylsulfanyl)-1H-imidazol-5-yl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Bis(cyclohexylmethyl)-4-[1-anilino-2-(methylsulfanyl)-1H-imidazol-5-yl]-2,6-dimethyl-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC 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: 735.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 398.6±35.7 °C
Index of Refraction: 1.637
Molar Refractivity: 166.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.85
ACD/LogD (pH 5.5): 7.47
ACD/BCF (pH 5.5): 277862.84
ACD/KOC (pH 5.5): 274097.06
ACD/LogD (pH 7.4): 7.47
ACD/BCF (pH 7.4): 278672.50
ACD/KOC (pH 7.4): 274895.72
Polar Surface Area: 120 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 464.6±7.0 cm3

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