7-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Chemical Structure Depiction of
7-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
7-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Compound characteristics
| Compound ID: | 3660-0451 |
| Compound Name: | 7-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine |
| Molecular Weight: | 401.85 |
| Molecular Formula: | C19 H20 Cl N5 O3 |
| Smiles: | Cc1ccc(cc1[Cl])Nc1cc(c2c(c1[N+]([O-])=O)non2)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 7.2516 |
| logD: | 7.2516 |
| logSw: | -6.5795 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.576 |
| InChI Key: | PEIDBWFHDNNICI-UHFFFAOYSA-N |