5-bromo-3-methyl-1-(pyridin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one
Chemical Structure Depiction of
5-bromo-3-methyl-1-(pyridin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one
5-bromo-3-methyl-1-(pyridin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one
Compound characteristics
| Compound ID: | 8016-0008 |
| Compound Name: | 5-bromo-3-methyl-1-(pyridin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one |
| Molecular Weight: | 306.16 |
| Molecular Formula: | C13 H12 Br N3 O |
| Smiles: | Cc1c2C(C(CCc2n(c2ccccn2)n1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1597 |
| logD: | 2.1568 |
| logSw: | -2.2048 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.22 |
| InChI Key: | ZMLQJFAUSITVCF-VIFPVBQESA-N |