ethyl 2-{[(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0449 |
| Compound Name: | ethyl 2-{[(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 520.6 |
| Molecular Formula: | C24 H25 F N2 O6 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(CC3CCCO3)C(=Nc2s1)SCc1cc(cc2COCOc12)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2032 |
| logD: | 4.2032 |
| logSw: | -4.278 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.97 |
| InChI Key: | OPKPSHFQECQZHQ-QGZVFWFLSA-N |