N~1~-(2-chloro-4-nitrophenyl)-N~6~-[2,6-dinitro-4-(trifluoromethyl)phenyl]hexane-1,6-diamine
Chemical Structure Depiction of
N~1~-(2-chloro-4-nitrophenyl)-N~6~-[2,6-dinitro-4-(trifluoromethyl)phenyl]hexane-1,6-diamine
N~1~-(2-chloro-4-nitrophenyl)-N~6~-[2,6-dinitro-4-(trifluoromethyl)phenyl]hexane-1,6-diamine
Compound characteristics
| Compound ID: | 8011-5380 |
| Compound Name: | N~1~-(2-chloro-4-nitrophenyl)-N~6~-[2,6-dinitro-4-(trifluoromethyl)phenyl]hexane-1,6-diamine |
| Molecular Weight: | 505.84 |
| Molecular Formula: | C19 H19 Cl F3 N5 O6 |
| Smiles: | C(CCCNc1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)CCNc1ccc(cc1[Cl])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5142 |
| logD: | 5.5142 |
| logSw: | -6.1093 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 118.111 |
| InChI Key: | TWYKOUFMVQUCDY-UHFFFAOYSA-N |