2-({2-[4-(4-fluoroanilino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)-6-nitrophenol--acetic acid (1/1)
Chemical Structure Depiction of
2-({2-[4-(4-fluoroanilino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)-6-nitrophenol--acetic acid (1/1)
2-({2-[4-(4-fluoroanilino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)-6-nitrophenol--acetic acid (1/1)
Compound characteristics
| Compound ID: | 8006-9142 |
| Compound Name: | 2-({2-[4-(4-fluoroanilino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)-6-nitrophenol--acetic acid (1/1) |
| Molecular Weight: | 514.47 |
| Molecular Formula: | C20 H19 F N8 O4 |
| Salt: | CH3COOH |
| Smiles: | C1COCCN1c1nc(Nc2ccc(cc2)F)nc(N/N=C/c2cccc(c2O)[N+]([O-])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.0026 |
| logD: | 4.0683 |
| logSw: | -4.6686 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 121.27 |
| InChI Key: | VDQLGSZLEPJQRX-WSDLNYQXSA-N |