ChemSpider 2D Image | Ethyl 2-({[4-butyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate | C24H27N5O4S2

Ethyl 2-({[4-butyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate

  • Molecular FormulaC24H27N5O4S2
  • Average mass513.632 Da
  • Monoisotopic mass513.150452 Da
  • ChemSpider ID1565973

More details:

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

2-({[4-Butyl-5-(4-méthoxyphényl)-4H-1,2,4-triazol-3-yl]sulfanyl}méthyl)-5-méthyl-4-oxo-3,4-dihydrothiéno[2,3-d]pyrimidine-6-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-({[4-butyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-2-({[4-butyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidine-6-carboxylic acid, 2-[[[4-butyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-3,4-dihydro-5-methyl-4-oxo-, ethyl ester [ACD/Index 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: 1.678
Molar Refractivity: 138.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.83
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 878.42
ACD/KOC (pH 5.5): 4453.34
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 875.43
ACD/KOC (pH 7.4): 4438.21
Polar Surface Area: 161 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 367.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement