butyl 4-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoate
Chemical Structure Depiction of
butyl 4-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoate
butyl 4-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoate
Compound characteristics
| Compound ID: | 1582-0011 |
| Compound Name: | butyl 4-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoate |
| Molecular Weight: | 356.34 |
| Molecular Formula: | C17 H16 N4 O5 |
| Smiles: | CCCCOC(c1ccc(cc1)Nc1ccc2c(c1[N+]([O-])=O)non2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7438 |
| logD: | 5.7438 |
| logSw: | -5.4222 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.37 |
| InChI Key: | VNUGUYUXBWUWFR-UHFFFAOYSA-N |