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 |