2-{5-bromo-2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{5-bromo-2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{5-bromo-2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3949-2295 |
| Compound Name: | 2-{5-bromo-2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 539.49 |
| Molecular Formula: | C27 H27 Br N2 O3 S |
| Smiles: | CCc1cc(C)cc(c1)OCCOc1ccc(cc1C1NC(c2c3CCCCc3sc2N=1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 7.4584 |
| logD: | 6.1744 |
| logSw: | -5.7387 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.364 |
| InChI Key: | ZIJFXCOUNXTTED-UHFFFAOYSA-N |