1-{4-[2-(butan-2-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-chloroethan-1-one
Chemical Structure Depiction of
1-{4-[2-(butan-2-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-chloroethan-1-one
1-{4-[2-(butan-2-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-chloroethan-1-one
Compound characteristics
| Compound ID: | V001-3164 |
| Compound Name: | 1-{4-[2-(butan-2-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-chloroethan-1-one |
| Molecular Weight: | 406.98 |
| Molecular Formula: | C20 H27 Cl N4 O S |
| Salt: | not_available |
| Smiles: | CCC(C)c1nc(c2c3CCCCc3sc2n1)N1CCN(CC1)C(C[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7915 |
| logD: | 4.2159 |
| logSw: | -4.7067 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 39.421 |
| InChI Key: | ZFSMCQOKXIIFGC-ZDUSSCGKSA-N |