ethyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-5-methyl-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-5-methyl-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-5-methyl-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0481 |
| Compound Name: | ethyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-5-methyl-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 557.69 |
| Molecular Formula: | C27 H31 N3 O6 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(CCCN3CCCC3=O)C(=Nc2s1)SCc1cc(ccc1OC)C(C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0517 |
| logD: | 3.0517 |
| logSw: | -3.2338 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 85.375 |
| InChI Key: | CRNHKAFSUWRLSY-UHFFFAOYSA-N |