3-(4-chlorophenyl)-6,6-dimethyl-2-phenyl-2,5,6,7-tetrahydro-4H-indazol-4-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-6,6-dimethyl-2-phenyl-2,5,6,7-tetrahydro-4H-indazol-4-one
3-(4-chlorophenyl)-6,6-dimethyl-2-phenyl-2,5,6,7-tetrahydro-4H-indazol-4-one
Compound characteristics
| Compound ID: | 5202-0454 |
| Compound Name: | 3-(4-chlorophenyl)-6,6-dimethyl-2-phenyl-2,5,6,7-tetrahydro-4H-indazol-4-one |
| Molecular Weight: | 350.85 |
| Molecular Formula: | C21 H19 Cl N2 O |
| Smiles: | CC1(C)CC(c2c(C1)nn(c1ccccc1)c2c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8174 |
| logD: | 4.8174 |
| logSw: | -5.1418 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 27.5067 |
| InChI Key: | SCAFAEVYGABPQB-UHFFFAOYSA-N |