2-{3-chloro-5-methoxy-4-[2-(2-phenoxyethoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{3-chloro-5-methoxy-4-[2-(2-phenoxyethoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{3-chloro-5-methoxy-4-[2-(2-phenoxyethoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3810-1184 |
| Compound Name: | 2-{3-chloro-5-methoxy-4-[2-(2-phenoxyethoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 527.04 |
| Molecular Formula: | C27 H27 Cl N2 O5 S |
| Smiles: | COc1cc(cc(c1OCCOCCOc1ccccc1)[Cl])C1NC(c2c3CCCCc3sc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.25 |
| logD: | 5.2022 |
| logSw: | -5.9195 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.353 |
| InChI Key: | IFBZSQOHQAAFEN-UHFFFAOYSA-N |