3-methyl-5-[(4-nitroanilino)methylidene]-1-(pyridin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one
Chemical Structure Depiction of
3-methyl-5-[(4-nitroanilino)methylidene]-1-(pyridin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one
3-methyl-5-[(4-nitroanilino)methylidene]-1-(pyridin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one
Compound characteristics
| Compound ID: | 8014-2066 |
| Compound Name: | 3-methyl-5-[(4-nitroanilino)methylidene]-1-(pyridin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one |
| Molecular Weight: | 375.39 |
| Molecular Formula: | C20 H17 N5 O3 |
| Smiles: | Cc1c2C(C(\CCc2n(c2ccccn2)n1)=C/Nc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1694 |
| logD: | 3.1693 |
| logSw: | -3.6011 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.93 |
| InChI Key: | CYLPFWSAQBRDMN-UHFFFAOYSA-N |