2-(4-chlorophenyl)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-chlorophenyl)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethan-1-one
2-(4-chlorophenyl)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | D644-0020 |
| Compound Name: | 2-(4-chlorophenyl)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethan-1-one |
| Molecular Weight: | 360.76 |
| Molecular Formula: | C16 H16 Cl F3 N2 O2 |
| Smiles: | C1CCC2C(C1)C(C(F)(F)F)(N(C(Cc1ccc(cc1)[Cl])=O)N=2)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7966 |
| logD: | 3.7966 |
| logSw: | -4.1253 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.393 |
| InChI Key: | ZVKYFIOWQJNGCK-UHFFFAOYSA-N |