ChemSpider 2D Image | 2-Methoxyethyl 3-(2-{[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate | C17H19N5O6S2

2-Methoxyethyl 3-(2-{[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate

  • Molecular FormulaC17H19N5O6S2
  • Average mass453.493 Da
  • Monoisotopic mass453.077667 Da
  • ChemSpider ID27295540

More details:

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

2-Methoxyethyl 3-(2-{[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate [ACD/IUPAC Name]
2-Methoxyethyl-3-(2-{[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
3-(2-{[5-(Méthoxyméthyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoéthyl)-5-méthyl-4-oxo-3,4-dihydrothiéno[2,3-d]pyrimidine-6-carboxylate de 2-méthoxyéthyle [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidine-6-carboxylic acid, 3,4-dihydro-3-[2-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-5-methyl-4-oxo-, 2-methoxyethyl ester [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.699
Molar Refractivity: 111.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: -0.13
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.92
ACD/KOC (pH 5.5): 55.42
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.87
ACD/KOC (pH 7.4): 54.00
Polar Surface Area: 189 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 62.8±7.0 dyne/cm
Molar Volume: 287.9±7.0 cm3

Click to predict properties on the Chemicalize site


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