3-{[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol
Chemical Structure Depiction of
3-{[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol
3-{[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol
Compound characteristics
| Compound ID: | K901-0901 |
| Compound Name: | 3-{[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol |
| Molecular Weight: | 335.36 |
| Molecular Formula: | C15 H21 N5 O4 |
| Smiles: | C1CCCN(CC1)c1cc(c(c2c1non2)[N+]([O-])=O)NCCCO |
| Stereo: | ACHIRAL |
| logP: | 3.195 |
| logD: | 3.195 |
| logSw: | -3.5713 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.666 |
| InChI Key: | KYQCHNIFFASDSE-UHFFFAOYSA-N |