7-(azepan-1-yl)-N-(2,5-dichlorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Chemical Structure Depiction of
7-(azepan-1-yl)-N-(2,5-dichlorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
7-(azepan-1-yl)-N-(2,5-dichlorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Compound characteristics
| Compound ID: | 4061-0033 |
| Compound Name: | 7-(azepan-1-yl)-N-(2,5-dichlorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine |
| Molecular Weight: | 422.27 |
| Molecular Formula: | C18 H17 Cl2 N5 O3 |
| Smiles: | C1CCCN(CC1)c1cc(c(c2c1non2)[N+]([O-])=O)Nc1cc(ccc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.9262 |
| logD: | 6.9262 |
| logSw: | -6.7813 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.878 |
| InChI Key: | QDOPHCITCGVDRM-UHFFFAOYSA-N |