2-{[4-nitro-7-(3,4,5-trimethoxyanilino)-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol
Chemical Structure Depiction of
2-{[4-nitro-7-(3,4,5-trimethoxyanilino)-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol
2-{[4-nitro-7-(3,4,5-trimethoxyanilino)-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol
Compound characteristics
| Compound ID: | C091-0115 |
| Compound Name: | 2-{[4-nitro-7-(3,4,5-trimethoxyanilino)-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol |
| Molecular Weight: | 405.37 |
| Molecular Formula: | C17 H19 N5 O7 |
| Smiles: | COc1cc(cc(c1OC)OC)Nc1cc(c(c2c1non2)[N+]([O-])=O)NCCO |
| Stereo: | ACHIRAL |
| logP: | 2.6348 |
| logD: | 2.6348 |
| logSw: | -2.8995 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 127.376 |
| InChI Key: | NSJGTNQVCRNGQC-UHFFFAOYSA-N |