ethyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
Compound ID: | K285-0270 |
Compound Name: | ethyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
Molecular Weight: | 512.58 |
Molecular Formula: | C25 H21 F N2 O5 S2 |
Smiles: | CCOC(c1c(C)c2C(N(Cc3ccc4c(c3)OCO4)C(=Nc2s1)SCc1ccccc1F)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.7237 |
logD: | 5.7237 |
logSw: | -5.4894 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 63.542 |
InChI Key: | SFEFOGSVAWLYJE-UHFFFAOYSA-N |