7-(azepan-1-yl)-N-methyl-4-nitro-N-phenyl-2,1,3-benzoxadiazol-5-amine
Chemical Structure Depiction of
7-(azepan-1-yl)-N-methyl-4-nitro-N-phenyl-2,1,3-benzoxadiazol-5-amine
7-(azepan-1-yl)-N-methyl-4-nitro-N-phenyl-2,1,3-benzoxadiazol-5-amine
Compound characteristics
| Compound ID: | 3660-0445 |
| Compound Name: | 7-(azepan-1-yl)-N-methyl-4-nitro-N-phenyl-2,1,3-benzoxadiazol-5-amine |
| Molecular Weight: | 367.41 |
| Molecular Formula: | C19 H21 N5 O3 |
| Smiles: | CN(c1ccccc1)c1cc(c2c(c1[N+]([O-])=O)non2)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.867 |
| logD: | 4.867 |
| logSw: | -4.6906 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 75.233 |
| InChI Key: | HTTAXXNHRMYUND-UHFFFAOYSA-N |