7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Chemical Structure Depiction of
7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Compound characteristics
| Compound ID: | R052-2065 |
| Compound Name: | 7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine |
| Molecular Weight: | 277.28 |
| Molecular Formula: | C12 H15 N5 O3 |
| Smiles: | C1CCCN(CC1)c1cc(c(c2c1non2)[N+]([O-])=O)N |
| Stereo: | ACHIRAL |
| logP: | 3.1855 |
| logD: | 3.1855 |
| logSw: | -3.7031 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.457 |
| InChI Key: | PUVBVQTTWQCLNM-UHFFFAOYSA-N |