N~6~-(3-chloro-4-methylphenyl)-N~4~-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
Chemical Structure Depiction of
N~6~-(3-chloro-4-methylphenyl)-N~4~-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
N~6~-(3-chloro-4-methylphenyl)-N~4~-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
Compound characteristics
| Compound ID: | 3660-0480 |
| Compound Name: | N~6~-(3-chloro-4-methylphenyl)-N~4~-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine |
| Molecular Weight: | 347.76 |
| Molecular Formula: | C15 H14 Cl N5 O3 |
| Smiles: | CCNc1cc(c(c2c1non2)[N+]([O-])=O)Nc1ccc(C)c(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4913 |
| logD: | 5.4913 |
| logSw: | -6.0024 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.527 |
| InChI Key: | YSHACJMYSIHXNT-UHFFFAOYSA-N |