2-{3-bromo-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{3-bromo-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{3-bromo-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3949-2154 |
| Compound Name: | 2-{3-bromo-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 555.49 |
| Molecular Formula: | C27 H27 Br N2 O4 S |
| Smiles: | CCOc1cc(cc(c1OCCOc1ccc(C)cc1)[Br])C1NC(c2c3CCCCc3sc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4518 |
| logD: | 6.404 |
| logSw: | -5.5852 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.661 |
| InChI Key: | ITLRUPVNLNQQOC-UHFFFAOYSA-N |