N-{amino[(1,3-benzoxazol-2-yl)amino]methylidene}-3-(4-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-{amino[(1,3-benzoxazol-2-yl)amino]methylidene}-3-(4-nitrophenyl)prop-2-enamide
N-{amino[(1,3-benzoxazol-2-yl)amino]methylidene}-3-(4-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y021-1408 |
| Compound Name: | N-{amino[(1,3-benzoxazol-2-yl)amino]methylidene}-3-(4-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 351.32 |
| Molecular Formula: | C17 H13 N5 O4 |
| Smiles: | C(=C/c1ccc(cc1)[N+]([O-])=O)\C(/N=C(\N)Nc1nc2ccccc2o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7671 |
| logD: | 1.4403 |
| logSw: | -3.3544 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.93 |
| InChI Key: | JZJSSEXELMZAAB-UHFFFAOYSA-N |