1-{4-[2-(butan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-phenylbutan-1-one
Chemical Structure Depiction of
1-{4-[2-(butan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-phenylbutan-1-one
1-{4-[2-(butan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-phenylbutan-1-one
Compound characteristics
| Compound ID: | V013-2600 |
| Compound Name: | 1-{4-[2-(butan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-phenylbutan-1-one |
| Molecular Weight: | 490.71 |
| Molecular Formula: | C29 H38 N4 O S |
| Salt: | not_available |
| Smiles: | CCC(C)c1nc(c2c3CCCCCc3sc2n1)N1CCN(CC1)C(C(CC)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.6322 |
| logD: | 7.0566 |
| logSw: | -5.8165 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.007 |
| InChI Key: | MPAAJMHLQQAIQD-UHFFFAOYSA-N |