2,2-dimethyl-1-{4-[2-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
Chemical Structure Depiction of
2,2-dimethyl-1-{4-[2-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
2,2-dimethyl-1-{4-[2-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | V001-2047 |
| Compound Name: | 2,2-dimethyl-1-{4-[2-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one |
| Molecular Weight: | 428.64 |
| Molecular Formula: | C24 H36 N4 O S |
| Salt: | not_available |
| Smiles: | CC(C)Cc1nc(c2c3CCCCCc3sc2n1)N1CCN(CC1)C(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4222 |
| logD: | 5.839 |
| logSw: | -5.648 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.27 |
| InChI Key: | DVBXRFSPKHEFJF-UHFFFAOYSA-N |