ethyl 5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-5107 |
| Compound Name: | ethyl 5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 485.62 |
| Molecular Formula: | C24 H27 N3 O4 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3ccc(C)cc3)C(=Nc2s1)SCC(N1CCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4311 |
| logD: | 4.4311 |
| logSw: | -4.2513 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.186 |
| InChI Key: | BVYBHIQBUYQKRO-UHFFFAOYSA-N |