3-(2-fluoroanilino)-6,6-dimethyl-1-phenyl-1,5,6,7-tetrahydro-4H-indazol-4-one
Chemical Structure Depiction of
3-(2-fluoroanilino)-6,6-dimethyl-1-phenyl-1,5,6,7-tetrahydro-4H-indazol-4-one
3-(2-fluoroanilino)-6,6-dimethyl-1-phenyl-1,5,6,7-tetrahydro-4H-indazol-4-one
Compound characteristics
| Compound ID: | Y021-0190 |
| Compound Name: | 3-(2-fluoroanilino)-6,6-dimethyl-1-phenyl-1,5,6,7-tetrahydro-4H-indazol-4-one |
| Molecular Weight: | 349.41 |
| Molecular Formula: | C21 H20 F N3 O |
| Smiles: | CC1(C)CC(c2c(Nc3ccccc3F)nn(c3ccccc3)c2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.456 |
| logD: | 4.456 |
| logSw: | -4.5203 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.087 |
| InChI Key: | SPCLZTWGXKPMBK-UHFFFAOYSA-N |