ChemSpider 2D Image | 6-(Cyclohexylmethyl)-5-ethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-4(1H)-pyrimidinone | C21H26N2O2S

6-(Cyclohexylmethyl)-5-ethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-4(1H)-pyrimidinone

  • Molecular FormulaC21H26N2O2S
  • Average mass370.508 Da
  • Monoisotopic mass370.171509 Da
  • ChemSpider ID26378206

More details:

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

4(3H)-Pyrimidinone, 6-(cyclohexylmethyl)-5-ethyl-2-[(2-oxo-2-phenylethyl)thio]- [ACD/Index Name]
6-(Cyclohexylmethyl)-5-ethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
6-(Cyclohexylmethyl)-5-ethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-4(1H)-pyrimidinone [ACD/IUPAC Name]
6-(Cyclohexylméthyl)-5-éthyl-2-[(2-oxo-2-phényléthyl)sulfanyl]-4(1H)-pyrimidinone [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.626
Molar Refractivity: 107.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1579.48
ACD/KOC (pH 5.5): 6770.39
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1212.09
ACD/KOC (pH 7.4): 5195.59
Polar Surface Area: 84 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 302.6±7.0 cm3

Click to predict properties on the Chemicalize site


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