ethyl 3-[2-(4-chlorophenyl)ethyl]-2-({2-[4-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-[2-(4-chlorophenyl)ethyl]-2-({2-[4-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-[2-(4-chlorophenyl)ethyl]-2-({2-[4-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0239 |
| Compound Name: | ethyl 3-[2-(4-chlorophenyl)ethyl]-2-({2-[4-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 585.14 |
| Molecular Formula: | C28 H29 Cl N4 O4 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(CCc3ccc(cc3)[Cl])C(=Nc2s1)SCC(Nc1ccc(cc1)N(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7476 |
| logD: | 5.7391 |
| logSw: | -6.159 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.359 |
| InChI Key: | CXSUOEKKXUBMGG-UHFFFAOYSA-N |