ChemSpider 2D Image | N-[(2E)-3-(Hexyldisulfanyl)-5-hydroxy-2-penten-2-yl]-N-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)methyl]formamide | C18H29N3O3S2

N-[(2E)-3-(Hexyldisulfanyl)-5-hydroxy-2-penten-2-yl]-N-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)methyl]formamide

  • Molecular FormulaC18H29N3O3S2
  • Average mass399.571 Da
  • Monoisotopic mass399.165039 Da
  • ChemSpider ID115296733

More details:

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

Formamide, N-[(1,6-dihydro-2-methyl-6-oxo-5-pyrimidinyl)methyl]-N-[(1E)-2-(hexyldithio)-4-hydroxy-1-methyl-1-buten-1-yl]- [ACD/Index Name]
N-[(2E)-3-(Hexyldisulfanyl)-5-hydroxy-2-penten-2-yl]-N-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)methyl]formamid [German] [ACD/IUPAC Name]
N-[(2E)-3-(Hexyldisulfanyl)-5-hydroxy-2-penten-2-yl]-N-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)methyl]formamide [ACD/IUPAC Name]
N-[(2E)-3-(Hexyldisulfanyl)-5-hydroxy-2-pentén-2-yl]-N-[(2-méthyl-6-oxo-1,6-dihydro-5-pyrimidinyl)méthyl]formamide [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: 1.580
Molar Refractivity: 110.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 247.93
ACD/KOC (pH 5.5): 1800.37
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 235.35
ACD/KOC (pH 7.4): 1709.01
Polar Surface Area: 133 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 332.3±7.0 cm3

Click to predict properties on the Chemicalize site


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