1-{[2-(2-chloro-4-nitroanilino)ethyl][2,6-dinitro-4-(trifluoromethyl)phenyl]amino}propan-2-ol
Chemical Structure Depiction of
1-{[2-(2-chloro-4-nitroanilino)ethyl][2,6-dinitro-4-(trifluoromethyl)phenyl]amino}propan-2-ol
1-{[2-(2-chloro-4-nitroanilino)ethyl][2,6-dinitro-4-(trifluoromethyl)phenyl]amino}propan-2-ol
Compound characteristics
| Compound ID: | 8009-5972 |
| Compound Name: | 1-{[2-(2-chloro-4-nitroanilino)ethyl][2,6-dinitro-4-(trifluoromethyl)phenyl]amino}propan-2-ol |
| Molecular Weight: | 507.81 |
| Molecular Formula: | C18 H17 Cl F3 N5 O7 |
| Smiles: | CC(CN(CCNc1ccc(cc1[Cl])[N+]([O-])=O)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0811 |
| logD: | 5.0811 |
| logSw: | -5.3924 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 128.301 |
| InChI Key: | GGKKMBJZBFMBFJ-JTQLQIEISA-N |