ethyl 2-{[2-(4-ethoxyanilino)-2-oxoethyl]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-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0223 |
| Compound Name: | ethyl 2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 555.65 |
| Molecular Formula: | C27 H26 F N3 O5 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3ccc(cc3)F)C(=Nc2s1)SCC(Nc1ccc(cc1)OCC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3618 |
| logD: | 5.3618 |
| logSw: | -5.3726 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.7 |
| InChI Key: | CNUXDBDDCYEQKP-UHFFFAOYSA-N |