7-(azepan-1-yl)-N-(3,4-dimethylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Chemical Structure Depiction of
7-(azepan-1-yl)-N-(3,4-dimethylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
7-(azepan-1-yl)-N-(3,4-dimethylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Compound characteristics
| Compound ID: | 4061-0024 |
| Compound Name: | 7-(azepan-1-yl)-N-(3,4-dimethylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine |
| Molecular Weight: | 381.43 |
| Molecular Formula: | C20 H23 N5 O3 |
| Smiles: | Cc1ccc(cc1C)Nc1cc(c2c(c1[N+]([O-])=O)non2)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 6.8488 |
| logD: | 6.8488 |
| logSw: | -5.7068 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.576 |
| InChI Key: | GCLCRONPJXCBRX-UHFFFAOYSA-N |