ChemSpider 2D Image | Ethyl 6-({[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-(2-furyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C29H35N5O7S

Ethyl 6-({[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-(2-furyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC29H35N5O7S
  • Average mass597.682 Da
  • Monoisotopic mass597.225708 Da
  • ChemSpider ID11064159

More details:

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

5-Pyrimidinecarboxylic acid, 6-[[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-4-(2-furanyl)-1,2,3,4-tetrahydro-2-oxo-, ethyl ester [ACD/Index Name]
6-({[4-Cyclohexyl-5-(3,4,5-triméthoxyphényl)-4H-1,2,4-triazol-3-yl]sulfanyl}méthyl)-4-(2-furyl)-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-({[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-(2-furyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-6-({[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-(2-furyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.654
Molar Refractivity: 155.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1669.00
ACD/KOC (pH 5.5): 7050.54
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1665.99
ACD/KOC (pH 7.4): 7037.83
Polar Surface Area: 164 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 52.4±7.0 dyne/cm
Molar Volume: 423.6±7.0 cm3

Click to predict properties on the Chemicalize site


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