butyl 4-[(5-nitro-2,1,3-benzoxadiazol-4-yl)amino]benzoate
Chemical Structure Depiction of
butyl 4-[(5-nitro-2,1,3-benzoxadiazol-4-yl)amino]benzoate
butyl 4-[(5-nitro-2,1,3-benzoxadiazol-4-yl)amino]benzoate
Compound characteristics
| Compound ID: | 3660-0393 |
| Compound Name: | butyl 4-[(5-nitro-2,1,3-benzoxadiazol-4-yl)amino]benzoate |
| Molecular Weight: | 356.34 |
| Molecular Formula: | C17 H16 N4 O5 |
| Smiles: | CCCCOC(c1ccc(cc1)Nc1c(ccc2c1non2)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9212 |
| logD: | 4.9212 |
| logSw: | -4.6969 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.973 |
| InChI Key: | DLPXQSMOLXHRSO-UHFFFAOYSA-N |