ethyl 3-[(4-chlorophenyl)methyl]-2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-[(4-chlorophenyl)methyl]-2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-[(4-chlorophenyl)methyl]-2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0275 |
| Compound Name: | ethyl 3-[(4-chlorophenyl)methyl]-2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 572.1 |
| Molecular Formula: | C27 H26 Cl N3 O5 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3ccc(cc3)[Cl])C(=Nc2s1)SCC(Nc1ccc(cc1)OCC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9275 |
| logD: | 5.9275 |
| logSw: | -6.2514 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.7 |
| InChI Key: | CRKOFUDDKUEJRX-UHFFFAOYSA-N |