1-{4-[2-(2-methylpropyl)-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-(2-methylpropyl)-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-(2-methylpropyl)-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: | V001-2023 |
| Compound Name: | 1-{4-[2-(2-methylpropyl)-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(N1CCN(CC1)c1c2c3CCCCCc3sc2nc(CC(C)C)n1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.5451 |
| logD: | 6.9618 |
| logSw: | -5.8165 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.998 |
| InChI Key: | CVJKTOOACUDCKJ-JOCHJYFZSA-N |