1-{4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
Chemical Structure Depiction of
1-{4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
1-{4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
Compound characteristics
| Compound ID: | G904-0339 |
| Compound Name: | 1-{4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one |
| Molecular Weight: | 477.01 |
| Molecular Formula: | C27 H29 Cl N4 O2 |
| Smiles: | Cc1c2C(CC(C)(C)Cc2n(c2ccc(cc2)C(N2CCN(CC2)c2cccc(c2)[Cl])=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.808 |
| logD: | 3.808 |
| logSw: | -4.5904 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.718 |
| InChI Key: | NEYVOSIWSHZWDX-UHFFFAOYSA-N |