2-{[2-ethoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenoxy]methyl}benzonitrile
Chemical Structure Depiction of
2-{[2-ethoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenoxy]methyl}benzonitrile
2-{[2-ethoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenoxy]methyl}benzonitrile
Compound characteristics
| Compound ID: | 3810-0368 |
| Compound Name: | 2-{[2-ethoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenoxy]methyl}benzonitrile |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C26 H23 N3 O3 S |
| Smiles: | CCOc1cc(ccc1OCc1ccccc1C#N)C1NC(c2c3CCCCc3sc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5628 |
| logD: | 4.5565 |
| logSw: | -4.4851 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.295 |
| InChI Key: | XAPHUGWPWRHMMS-UHFFFAOYSA-N |