5-bromo-3,6,6-trimethyl-1-phenyl-1,5,6,7-tetrahydro-4H-indazol-4-one
Chemical Structure Depiction of
5-bromo-3,6,6-trimethyl-1-phenyl-1,5,6,7-tetrahydro-4H-indazol-4-one
5-bromo-3,6,6-trimethyl-1-phenyl-1,5,6,7-tetrahydro-4H-indazol-4-one
Compound characteristics
| Compound ID: | 4533-0136 |
| Compound Name: | 5-bromo-3,6,6-trimethyl-1-phenyl-1,5,6,7-tetrahydro-4H-indazol-4-one |
| Molecular Weight: | 333.23 |
| Molecular Formula: | C16 H17 Br N2 O |
| Smiles: | Cc1c2C(C(C(C)(C)Cc2n(c2ccccc2)n1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1256 |
| logD: | 3.1256 |
| logSw: | -3.1582 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 27.7082 |
| InChI Key: | NNZBZRNWLXMMSY-OAHLLOKOSA-N |