4-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
Formula:C24H18N6OF4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is not a drug-like molecule.
| MolName | 4-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine |
| MolecularFormula | C24H18N6OF4 |
| Smiles | FC(COc1nc(N(c2ccccc2)c2ccccc2)nc(N/N=C\c(cc2)ccc2F)n1)(F)F |
| InChI | InChI=1S/C24H18F4N6O/c25-18-13-11-17(12-14-18)15-29-33-21-30-22(32-23(31-21)35-16-24(26,27)28)34(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-15H,16H2,(H,30,31,32,33) |
| InChIK | ADXVGWYYRNNSGI-UHFFFAOYSA-N |
| TotalMolweight | 482.44 |
| Molweight | 482.44 |
| MonoisotopicMass | 482.147821 |
| CLogP | 7.7783 |
| CLogS | -8.883 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 354.91 |
| Relative PSA | 0.19563 |
| PolarSurfaceArea | 75.53 |
| Druglikeness | -4.2285 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 12 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 4-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine | 2 - 4-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
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