1-{4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
Chemical Structure Depiction of
1-{4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
1-{4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
Compound characteristics
| Compound ID: | G904-0342 |
| Compound Name: | 1-{4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one |
| Molecular Weight: | 470.61 |
| Molecular Formula: | C29 H34 N4 O2 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(c1ccc(cc1)n1c2CC(C)(C)CC(c2c(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3823 |
| logD: | 4.3823 |
| logSw: | -4.5316 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.417 |
| InChI Key: | VDLFLYHDNJTEPD-UHFFFAOYSA-N |