butyl 4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]benzoate
Chemical Structure Depiction of
butyl 4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]benzoate
butyl 4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]benzoate
Compound characteristics
| Compound ID: | 1582-0002 |
| Compound Name: | butyl 4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]benzoate |
| Molecular Weight: | 401.33 |
| Molecular Formula: | C17 H15 N5 O7 |
| Smiles: | CCCCOC(c1ccc(cc1)Nc1c(cc(c2c1non2)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8386 |
| logD: | 4.8385 |
| logSw: | -4.7354 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 131.824 |
| InChI Key: | IPWKRIDYFOQZLL-UHFFFAOYSA-N |