3-{[7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol
Chemical Structure Depiction of
3-{[7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol
3-{[7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol
Compound characteristics
| Compound ID: | K901-0938 |
| Compound Name: | 3-{[7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol |
| Molecular Weight: | 323.31 |
| Molecular Formula: | C13 H17 N5 O5 |
| Smiles: | C(CNc1cc(c2c(c1[N+]([O-])=O)non2)N1CCOCC1)CO |
| Stereo: | ACHIRAL |
| logP: | 1.5404 |
| logD: | 1.5404 |
| logSw: | -2.0234 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.244 |
| InChI Key: | UPBPAABIUZZNKN-UHFFFAOYSA-N |