2-(4-methylphenyl)-6-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3(2H)-one
Chemical Structure Depiction of
2-(4-methylphenyl)-6-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3(2H)-one
2-(4-methylphenyl)-6-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3(2H)-one
Compound characteristics
| Compound ID: | SD50-0518 |
| Compound Name: | 2-(4-methylphenyl)-6-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3(2H)-one |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C24 H28 N6 O2 |
| Smiles: | Cc1ccc(cc1)N1C(C2CCC(CCC=2N1)C(N1CCN(CC1)c1ncccn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9428 |
| logD: | 2.5209 |
| logSw: | -3.126 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.811 |
| InChI Key: | QIURBULHYPCFFF-SFHVURJKSA-N |