2-(5-chloro-2-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethoxy}phenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-(5-chloro-2-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethoxy}phenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-(5-chloro-2-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethoxy}phenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3949-2272 |
| Compound Name: | 2-(5-chloro-2-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethoxy}phenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 509.07 |
| Molecular Formula: | C28 H29 Cl N2 O3 S |
| Smiles: | CC(C)c1ccc(C)cc1OCCOc1ccc(cc1C1NC(c2c3CCCCc3sc2N=1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.4483 |
| logD: | 6.1643 |
| logSw: | -6.4275 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.451 |
| InChI Key: | XIBFGIVSBIRXQK-UHFFFAOYSA-N |