ethyl 2-({2-[benzyl(methyl)amino]-2-oxoethyl}sulfanyl)-3-[2-(4-chlorophenyl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-({2-[benzyl(methyl)amino]-2-oxoethyl}sulfanyl)-3-[2-(4-chlorophenyl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-({2-[benzyl(methyl)amino]-2-oxoethyl}sulfanyl)-3-[2-(4-chlorophenyl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0305 |
| Compound Name: | ethyl 2-({2-[benzyl(methyl)amino]-2-oxoethyl}sulfanyl)-3-[2-(4-chlorophenyl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 570.13 |
| Molecular Formula: | C28 H28 Cl N3 O4 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(CCc3ccc(cc3)[Cl])C(=Nc2s1)SCC(N(C)Cc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8753 |
| logD: | 5.8753 |
| logSw: | -6.0751 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.3 |
| InChI Key: | VPLMKAFUBJBIMD-UHFFFAOYSA-N |