6-(4-benzylpiperidine-1-carbonyl)-2-phenyl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3(2H)-one
Chemical Structure Depiction of
6-(4-benzylpiperidine-1-carbonyl)-2-phenyl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3(2H)-one
6-(4-benzylpiperidine-1-carbonyl)-2-phenyl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3(2H)-one
Compound characteristics
| Compound ID: | SD50-0037 |
| Compound Name: | 6-(4-benzylpiperidine-1-carbonyl)-2-phenyl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3(2H)-one |
| Molecular Weight: | 429.56 |
| Molecular Formula: | C27 H31 N3 O2 |
| Smiles: | C1CN(CCC1Cc1ccccc1)C(C1CCC2=C(CC1)NN(C2=O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5688 |
| logD: | 4.2064 |
| logSw: | -4.466 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.917 |
| InChI Key: | SXCMYWCZDNZDKS-JOCHJYFZSA-N |