2-{[2-(2-chloro-4-nitroanilino)ethyl][2-nitro-4-(trifluoromethyl)phenyl]amino}ethan-1-ol
Chemical Structure Depiction of
2-{[2-(2-chloro-4-nitroanilino)ethyl][2-nitro-4-(trifluoromethyl)phenyl]amino}ethan-1-ol
2-{[2-(2-chloro-4-nitroanilino)ethyl][2-nitro-4-(trifluoromethyl)phenyl]amino}ethan-1-ol
Compound characteristics
| Compound ID: | 2023-0648 |
| Compound Name: | 2-{[2-(2-chloro-4-nitroanilino)ethyl][2-nitro-4-(trifluoromethyl)phenyl]amino}ethan-1-ol |
| Molecular Weight: | 448.78 |
| Molecular Formula: | C17 H16 Cl F3 N4 O5 |
| Smiles: | C(CN(CCO)c1ccc(cc1[N+]([O-])=O)C(F)(F)F)Nc1ccc(cc1[Cl])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3054 |
| logD: | 4.3054 |
| logSw: | -4.4993 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.677 |
| InChI Key: | FHZDBTLOVDFBCB-UHFFFAOYSA-N |