1-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
Chemical Structure Depiction of
1-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
1-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
Compound characteristics
| Compound ID: | G904-0354 |
| Compound Name: | 1-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one |
| Molecular Weight: | 455.6 |
| Molecular Formula: | C29 H33 N3 O2 |
| Smiles: | Cc1c2C(CC(C)(C)Cc2n(c2ccc(cc2)C(N2CCC(CC2)Cc2ccccc2)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5599 |
| logD: | 4.5599 |
| logSw: | -4.6975 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.186 |
| InChI Key: | UDHOFOXKIBJJHN-UHFFFAOYSA-N |