2-({2-[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)-4,6-dinitrophenol--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-({2-[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)-4,6-dinitrophenol--hydrogen chloride (1/1)
2-({2-[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)-4,6-dinitrophenol--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8008-5389 |
| Compound Name: | 2-({2-[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)-4,6-dinitrophenol--hydrogen chloride (1/1) |
| Molecular Weight: | 493.84 |
| Molecular Formula: | C18 H16 F N9 O5 |
| Salt: | HCl |
| Smiles: | CN(C)c1nc(Nc2ccc(cc2)F)nc(N/N=C\c2cc(cc(c2O)[N+]([O-])=O)[N+]([O-])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.1313 |
| logD: | 1.2974 |
| logSw: | -5.0745 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 146.096 |
| InChI Key: | OHLQFFNLHDPPSX-UKWGHVSLSA-N |