7-(azepan-1-yl)-N-(3-methoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Chemical Structure Depiction of
7-(azepan-1-yl)-N-(3-methoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
7-(azepan-1-yl)-N-(3-methoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Compound characteristics
| Compound ID: | 3660-0438 |
| Compound Name: | 7-(azepan-1-yl)-N-(3-methoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine |
| Molecular Weight: | 383.41 |
| Molecular Formula: | C19 H21 N5 O4 |
| Smiles: | COc1cccc(c1)Nc1cc(c2c(c1[N+]([O-])=O)non2)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.9279 |
| logD: | 5.9279 |
| logSw: | -5.5592 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.119 |
| InChI Key: | CQNDSZSQCODMQZ-UHFFFAOYSA-N |