1-{4-[2-(propan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}butan-1-one
Chemical Structure Depiction of
1-{4-[2-(propan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}butan-1-one
1-{4-[2-(propan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}butan-1-one
Compound characteristics
| Compound ID: | V022-2568 |
| Compound Name: | 1-{4-[2-(propan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}butan-1-one |
| Molecular Weight: | 400.59 |
| Molecular Formula: | C22 H32 N4 O S |
| Salt: | not_available |
| Smiles: | CCCC(N1CCN(CC1)c1c2c3CCCCCc3sc2nc(C(C)C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6297 |
| logD: | 5.1335 |
| logSw: | -5.3697 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 39.752 |
| InChI Key: | DBFNMNUAYRXVMT-UHFFFAOYSA-N |