N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[3-(2-hydroxyethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[3-(2-hydroxyethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[3-(2-hydroxyethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K263-0611 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[3-(2-hydroxyethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 499.61 |
| Molecular Formula: | C24 H25 N3 O5 S2 |
| Smiles: | COc1ccc(CCNC(CSC2=Nc3c4ccccc4sc3C(N2CCO)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.1271 |
| logD: | 2.1271 |
| logSw: | -2.8519 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.745 |
| InChI Key: | DMEIHFALLVVWRT-UHFFFAOYSA-N |