2-{[7-(3-methoxyanilino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol
Chemical Structure Depiction of
2-{[7-(3-methoxyanilino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol
2-{[7-(3-methoxyanilino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol
Compound characteristics
| Compound ID: | C091-0003 |
| Compound Name: | 2-{[7-(3-methoxyanilino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol |
| Molecular Weight: | 345.31 |
| Molecular Formula: | C15 H15 N5 O5 |
| Smiles: | COc1cccc(c1)Nc1cc(c(c2c1non2)[N+]([O-])=O)NCCO |
| Stereo: | ACHIRAL |
| logP: | 3.3207 |
| logD: | 3.3207 |
| logSw: | -3.6684 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.942 |
| InChI Key: | JUXNDXMJTHPBOC-UHFFFAOYSA-N |