N-{amino[(1,3-benzoxazol-2-yl)amino]methylidene}-3-chloro-4-nitrobenzamide
Chemical Structure Depiction of
N-{amino[(1,3-benzoxazol-2-yl)amino]methylidene}-3-chloro-4-nitrobenzamide
N-{amino[(1,3-benzoxazol-2-yl)amino]methylidene}-3-chloro-4-nitrobenzamide
Compound characteristics
| Compound ID: | 3456-3875 |
| Compound Name: | N-{amino[(1,3-benzoxazol-2-yl)amino]methylidene}-3-chloro-4-nitrobenzamide |
| Molecular Weight: | 359.73 |
| Molecular Formula: | C15 H10 Cl N5 O4 |
| Smiles: | c1ccc2c(c1)nc(NC(/N)=N/C(c1ccc(c(c1)[Cl])[N+]([O-])=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 2.7777 |
| logD: | 0.4988 |
| logSw: | -3.6684 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.842 |
| InChI Key: | FOZCDKGEZZOIQN-UHFFFAOYSA-N |