N-{amino[(1,3-benzoxazol-2-yl)amino]methylidene}-4-nitrobenzamide
Chemical Structure Depiction of
N-{amino[(1,3-benzoxazol-2-yl)amino]methylidene}-4-nitrobenzamide
N-{amino[(1,3-benzoxazol-2-yl)amino]methylidene}-4-nitrobenzamide
Compound characteristics
| Compound ID: | 3456-3874 |
| Compound Name: | N-{amino[(1,3-benzoxazol-2-yl)amino]methylidene}-4-nitrobenzamide |
| Molecular Weight: | 325.28 |
| Molecular Formula: | C15 H11 N5 O4 |
| Smiles: | c1ccc2c(c1)nc(NC(/N)=N/C(c1ccc(cc1)[N+]([O-])=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 2.4226 |
| logD: | -0.1368 |
| logSw: | -3.0386 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.144 |
| InChI Key: | VFINGRIKVYFYFU-UHFFFAOYSA-N |