5-bromo-3-methyl-1,6-diphenyl-1,5,6,7-tetrahydro-4H-indazol-4-one
Chemical Structure Depiction of
5-bromo-3-methyl-1,6-diphenyl-1,5,6,7-tetrahydro-4H-indazol-4-one
5-bromo-3-methyl-1,6-diphenyl-1,5,6,7-tetrahydro-4H-indazol-4-one
Compound characteristics
| Compound ID: | 4533-0137 |
| Compound Name: | 5-bromo-3-methyl-1,6-diphenyl-1,5,6,7-tetrahydro-4H-indazol-4-one |
| Molecular Weight: | 381.27 |
| Molecular Formula: | C20 H17 Br N2 O |
| Smiles: | Cc1c2C(C(C(Cc2n(c2ccccc2)n1)c1ccccc1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1936 |
| logD: | 4.1936 |
| logSw: | -4.5206 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 27.4367 |
| InChI Key: | FHVBRETUANTADQ-UHFFFAOYSA-N |