2-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3949-2531 |
| Compound Name: | 2-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 452.96 |
| Molecular Formula: | C24 H21 Cl N2 O3 S |
| Smiles: | COc1cc(ccc1OCc1ccccc1[Cl])C1NC(c2c3CCCCc3sc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3019 |
| logD: | 5.2956 |
| logSw: | -6.0252 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.659 |
| InChI Key: | HPOXZPGLLNWTKO-UHFFFAOYSA-N |