N-(2-methylphenyl)-4-nitro-7-(pyrrolidin-1-yl)-2,1,3-benzoxadiazol-5-amine
Chemical Structure Depiction of
N-(2-methylphenyl)-4-nitro-7-(pyrrolidin-1-yl)-2,1,3-benzoxadiazol-5-amine
N-(2-methylphenyl)-4-nitro-7-(pyrrolidin-1-yl)-2,1,3-benzoxadiazol-5-amine
Compound characteristics
| Compound ID: | 4061-0074 |
| Compound Name: | N-(2-methylphenyl)-4-nitro-7-(pyrrolidin-1-yl)-2,1,3-benzoxadiazol-5-amine |
| Molecular Weight: | 339.35 |
| Molecular Formula: | C17 H17 N5 O3 |
| Smiles: | Cc1ccccc1Nc1cc(c2c(c1[N+]([O-])=O)non2)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.0128 |
| logD: | 5.0128 |
| logSw: | -4.6847 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.913 |
| InChI Key: | VHEDXXMMKCVEIA-UHFFFAOYSA-N |