4,6-dinitro-1-oxo-N,2-bis[3-(trifluoromethyl)phenyl]-2H-1lambda~5~-indazol-3-amine
Chemical Structure Depiction of
4,6-dinitro-1-oxo-N,2-bis[3-(trifluoromethyl)phenyl]-2H-1lambda~5~-indazol-3-amine
4,6-dinitro-1-oxo-N,2-bis[3-(trifluoromethyl)phenyl]-2H-1lambda~5~-indazol-3-amine
Compound characteristics
| Compound ID: | 8010-5076 |
| Compound Name: | 4,6-dinitro-1-oxo-N,2-bis[3-(trifluoromethyl)phenyl]-2H-1lambda~5~-indazol-3-amine |
| Molecular Weight: | 527.34 |
| Molecular Formula: | C21 H11 F6 N5 O5 |
| Smiles: | c1cc(cc(c1)Nc1c2c(cc(cc2[n+](n1c1cccc(c1)C(F)(F)F)[O-])[N+]([O-])=O)[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 6.6188 |
| logD: | 6.6188 |
| logSw: | -6.6724 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.316 |
| InChI Key: | LAPGUXQEZMSDHR-UHFFFAOYSA-N |