ethyl 2-{[(2,6-difluorophenyl)methyl]sulfanyl}-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(2,6-difluorophenyl)methyl]sulfanyl}-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[(2,6-difluorophenyl)methyl]sulfanyl}-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0375 |
| Compound Name: | ethyl 2-{[(2,6-difluorophenyl)methyl]sulfanyl}-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 504.55 |
| Molecular Formula: | C24 H19 F3 N2 O3 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3ccc(cc3)F)C(=Nc2s1)SCc1c(cccc1F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8108 |
| logD: | 5.8108 |
| logSw: | -5.5738 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.427 |
| InChI Key: | XKRWNWAQJMPYNF-UHFFFAOYSA-N |