N~6~-(3-bromo-4-methylphenyl)-N~4~,N~4~-diethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
Chemical Structure Depiction of
N~6~-(3-bromo-4-methylphenyl)-N~4~,N~4~-diethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
N~6~-(3-bromo-4-methylphenyl)-N~4~,N~4~-diethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
Compound characteristics
| Compound ID: | 4061-0042 |
| Compound Name: | N~6~-(3-bromo-4-methylphenyl)-N~4~,N~4~-diethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine |
| Molecular Weight: | 420.26 |
| Molecular Formula: | C17 H18 Br N5 O3 |
| Smiles: | CCN(CC)c1cc(c(c2c1non2)[N+]([O-])=O)Nc1ccc(C)c(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.1125 |
| logD: | 6.1125 |
| logSw: | -5.5847 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.528 |
| InChI Key: | WBWAEGPQUMFWSK-UHFFFAOYSA-N |