ethyl 2-{[(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(pyridin-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-[(pyridin-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-[(pyridin-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0632 |
| Compound Name: | ethyl 2-{[(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(pyridin-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 527.59 |
| Molecular Formula: | C25 H22 F N3 O5 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3ccccn3)C(=Nc2s1)SCc1cc(cc2COCOc12)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4742 |
| logD: | 4.4742 |
| logSw: | -4.4557 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.859 |
| InChI Key: | ZFFSTFIGRFSLPD-UHFFFAOYSA-N |