methyl 4-[(5-nitro-2,1,3-benzoxadiazol-4-yl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(5-nitro-2,1,3-benzoxadiazol-4-yl)amino]benzoate
methyl 4-[(5-nitro-2,1,3-benzoxadiazol-4-yl)amino]benzoate
Compound characteristics
| Compound ID: | 3660-0391 |
| Compound Name: | methyl 4-[(5-nitro-2,1,3-benzoxadiazol-4-yl)amino]benzoate |
| Molecular Weight: | 314.25 |
| Molecular Formula: | C14 H10 N4 O5 |
| Smiles: | COC(c1ccc(cc1)Nc1c(ccc2c1non2)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4258 |
| logD: | 3.4258 |
| logSw: | -3.7358 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.1 |
| InChI Key: | KSZORCGCAXVXEO-UHFFFAOYSA-N |