2-{[7-(4-ethoxyanilino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol
Chemical Structure Depiction of
2-{[7-(4-ethoxyanilino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol
2-{[7-(4-ethoxyanilino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol
Compound characteristics
| Compound ID: | C091-0094 |
| Compound Name: | 2-{[7-(4-ethoxyanilino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol |
| Molecular Weight: | 359.34 |
| Molecular Formula: | C16 H17 N5 O5 |
| Smiles: | CCOc1ccc(cc1)Nc1cc(c(c2c1non2)[N+]([O-])=O)NCCO |
| Stereo: | ACHIRAL |
| logP: | 3.6232 |
| logD: | 3.6232 |
| logSw: | -3.9223 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.522 |
| InChI Key: | XTZUFWCQHIVSLI-UHFFFAOYSA-N |