N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[3-(3-methoxypropyl)-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-(3-methoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[3-(3-methoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K263-0467 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[3-(3-methoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 527.66 |
| Molecular Formula: | C26 H29 N3 O5 S2 |
| Smiles: | COCCCN1C(=Nc2c3ccccc3sc2C1=O)SCC(NCCc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1031 |
| logD: | 3.1031 |
| logSw: | -3.3855 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.432 |
| InChI Key: | ROXPECFVXYQIMN-UHFFFAOYSA-N |