2-(4-{2-[(4-chlorophenyl)sulfanyl]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-chlorophenyl)sulfanyl]ethoxy}-3-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3949-2245 |
| Compound Name: | 2-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 499.05 |
| Molecular Formula: | C25 H23 Cl N2 O3 S2 |
| Smiles: | COc1cc(ccc1OCCSc1ccc(cc1)[Cl])C1NC(c2c3CCCCc3sc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8939 |
| logD: | 5.8875 |
| logSw: | -6.1933 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.577 |
| InChI Key: | JOPJBFHPZGQOEH-UHFFFAOYSA-N |