2-amino-N-{amino[(1,3-benzoxazol-2-yl)amino]methylidene}-5-nitrobenzamide
Chemical Structure Depiction of
2-amino-N-{amino[(1,3-benzoxazol-2-yl)amino]methylidene}-5-nitrobenzamide
2-amino-N-{amino[(1,3-benzoxazol-2-yl)amino]methylidene}-5-nitrobenzamide
Compound characteristics
| Compound ID: | 5161-0176 |
| Compound Name: | 2-amino-N-{amino[(1,3-benzoxazol-2-yl)amino]methylidene}-5-nitrobenzamide |
| Molecular Weight: | 340.3 |
| Molecular Formula: | C15 H12 N6 O4 |
| Smiles: | c1ccc2c(c1)nc(NC(/N)=N/C(c1cc(ccc1N)[N+]([O-])=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 1.9038 |
| logD: | 1.8881 |
| logSw: | -2.9103 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 124.24 |
| InChI Key: | IGGQHCJDKXZEGR-UHFFFAOYSA-N |