2,4-dichloro-6-({2-[4-(4-fluoroanilino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)phenol--acetic acid (1/1)
Chemical Structure Depiction of
2,4-dichloro-6-({2-[4-(4-fluoroanilino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)phenol--acetic acid (1/1)
2,4-dichloro-6-({2-[4-(4-fluoroanilino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)phenol--acetic acid (1/1)
Compound characteristics
| Compound ID: | 2038-0330 |
| Compound Name: | 2,4-dichloro-6-({2-[4-(4-fluoroanilino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)phenol--acetic acid (1/1) |
| Molecular Weight: | 536.39 |
| Molecular Formula: | C21 H20 Cl2 F N7 O |
| Salt: | CH3COOH |
| Smiles: | [H]N(c1ccc(cc1)F)c1nc(nc(n1)N([H])/N=C/c1cc(cc(c1O)[Cl])[Cl])N1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 7.4647 |
| logD: | 7.3559 |
| logSw: | -6.324 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.281 |
| InChI Key: | RXUIKDWUJMUPLE-BRJLIKDPSA-N |