3-{[4-nitro-7-(propylsulfanyl)-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol
Chemical Structure Depiction of
3-{[4-nitro-7-(propylsulfanyl)-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol
3-{[4-nitro-7-(propylsulfanyl)-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol
Compound characteristics
| Compound ID: | K784-6216 |
| Compound Name: | 3-{[4-nitro-7-(propylsulfanyl)-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol |
| Molecular Weight: | 312.34 |
| Molecular Formula: | C12 H16 N4 O4 S |
| Smiles: | CCCSc1cc(c(c2c1non2)[N+]([O-])=O)NCCCO |
| Stereo: | ACHIRAL |
| logP: | 2.7479 |
| logD: | 2.7479 |
| logSw: | -3.0651 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.184 |
| InChI Key: | PXLIOCCSCVWLMO-UHFFFAOYSA-N |