N~6~-(2-chlorophenyl)-N~4~,N~4~-diethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
Chemical Structure Depiction of
N~6~-(2-chlorophenyl)-N~4~,N~4~-diethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
N~6~-(2-chlorophenyl)-N~4~,N~4~-diethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
Compound characteristics
| Compound ID: | 4061-0041 |
| Compound Name: | N~6~-(2-chlorophenyl)-N~4~,N~4~-diethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine |
| Molecular Weight: | 361.79 |
| Molecular Formula: | C16 H16 Cl N5 O3 |
| Smiles: | CCN(CC)c1cc(c(c2c1non2)[N+]([O-])=O)Nc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2785 |
| logD: | 5.2785 |
| logSw: | -5.948 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.83 |
| InChI Key: | PGSFOJRGIRHXGV-UHFFFAOYSA-N |