2-chloro-1-{4-[2-(2-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-chloro-1-{4-[2-(2-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}ethan-1-one
2-chloro-1-{4-[2-(2-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V001-3172 |
| Compound Name: | 2-chloro-1-{4-[2-(2-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 455.02 |
| Molecular Formula: | C24 H27 Cl N4 O S |
| Smiles: | C1CCc2c(C1)c1c(nc(CCc3ccccc3)nc1s2)N1CCN(CC1)C(C[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4072 |
| logD: | 5.0166 |
| logSw: | -5.6025 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.14 |
| InChI Key: | KOVYXGZNHNWECX-UHFFFAOYSA-N |