ChemSpider 2D Image | Ethyl 2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate | C26H33N3O6S2

Ethyl 2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate

  • Molecular FormulaC26H33N3O6S2
  • Average mass547.687 Da
  • Monoisotopic mass547.181091 Da
  • ChemSpider ID22491052

More details:

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

2-{[2-(Butylamino)-2-oxoéthyl]sulfanyl}-3-[2-(3,4-diméthoxyphényl)éthyl]-5-méthyl-4-oxo-3,4-dihydrothiéno[2,3-d]pyrimidine-6-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-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-[[2-(butylamino)-2-oxoethyl]thio]-3-[2-(3,4-dimethoxyphenyl)ethyl]-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: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.611
Molar Refractivity: 146.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 498.58
ACD/KOC (pH 5.5): 2969.22
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 498.58
ACD/KOC (pH 7.4): 2969.22
Polar Surface Area: 160 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 421.2±7.0 cm3

Click to predict properties on the Chemicalize site


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