3,3-dimethyl-1-{4-[2-(2-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}butan-1-one
Chemical Structure Depiction of
3,3-dimethyl-1-{4-[2-(2-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}butan-1-one
3,3-dimethyl-1-{4-[2-(2-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}butan-1-one
Compound characteristics
| Compound ID: | V001-3173 |
| Compound Name: | 3,3-dimethyl-1-{4-[2-(2-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}butan-1-one |
| Molecular Weight: | 476.68 |
| Molecular Formula: | C28 H36 N4 O S |
| Salt: | not_available |
| Smiles: | CC(C)(C)CC(N1CCN(CC1)c1c2c3CCCCc3sc2nc(CCc2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0507 |
| logD: | 6.6601 |
| logSw: | -5.9352 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.14 |
| InChI Key: | LWALDMSVVXZIIY-UHFFFAOYSA-N |