N-[4-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[4-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]-3-nitrobenzamide
N-[4-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 6865-4110 |
| Compound Name: | N-[4-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]-3-nitrobenzamide |
| Molecular Weight: | 424.42 |
| Molecular Formula: | C23 H16 N6 O3 |
| Smiles: | Cc1c2ccccc2c2nnc(c3ccc(cc3)NC(c3cccc(c3)[N+]([O-])=O)=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9266 |
| logD: | 3.9263 |
| logSw: | -4.2323 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.721 |
| InChI Key: | INZIVTIPKSFYNY-UHFFFAOYSA-N |