2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide
2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | K263-0389 |
| Compound Name: | 2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 539.67 |
| Molecular Formula: | C27 H29 N3 O5 S2 |
| Smiles: | COc1ccc(CCN2C(=Nc3c4ccccc4sc3C2=O)SCC(NCC2CCCO2)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2907 |
| logD: | 3.2907 |
| logSw: | -3.5779 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.631 |
| InChI Key: | CTCIYIXQRJERIO-GOSISDBHSA-N |