5-[(2-bromo-4-nitroanilino)methylidene]-3-methyl-1-(pyridin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one
Chemical Structure Depiction of
5-[(2-bromo-4-nitroanilino)methylidene]-3-methyl-1-(pyridin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one
5-[(2-bromo-4-nitroanilino)methylidene]-3-methyl-1-(pyridin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one
Compound characteristics
| Compound ID: | 5202-0429 |
| Compound Name: | 5-[(2-bromo-4-nitroanilino)methylidene]-3-methyl-1-(pyridin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one |
| Molecular Weight: | 454.28 |
| Molecular Formula: | C20 H16 Br N5 O3 |
| Smiles: | Cc1c2C(C(/CCc2n(c2ccccn2)n1)=C/Nc1ccc(cc1[Br])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9999 |
| logD: | 3.9997 |
| logSw: | -4.3018 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.233 |
| InChI Key: | BOACZCFTYYMTDM-UHFFFAOYSA-N |