2-{4-[2-(4-bromophenoxy)ethoxy]-3-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{4-[2-(4-bromophenoxy)ethoxy]-3-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{4-[2-(4-bromophenoxy)ethoxy]-3-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3949-2198 |
| Compound Name: | 2-{4-[2-(4-bromophenoxy)ethoxy]-3-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 527.44 |
| Molecular Formula: | C25 H23 Br N2 O4 S |
| Smiles: | COc1cc(ccc1OCCOc1ccc(cc1)[Br])C1NC(c2c3CCCCc3sc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6478 |
| logD: | 5.6415 |
| logSw: | -5.4915 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.995 |
| InChI Key: | ARCRMAFDYDMRAE-UHFFFAOYSA-N |