| MolName | 2-N-[(Z)-(4-fluorophenyl)methylideneamino]-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine |
| MolecularFormula | C26H24N7OF |
| Smiles | Fc1ccc(/C=N\Nc2nc(N3CCOCC3)nc(N(c3ccccc3)c3ccccc3)n2)cc1 |
| InChI | InChI=1S/C26H24FN7O/c27-21-13-11-20(12-14-21)19-28-32-24-29-25(33-15-17-35-18-16-33)31-26(30-24)34(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,19H,15-18H2,(H,29,30,31,32) |
| InChIK | ONMSBEORQAKGAW-UHFFFAOYSA-N |
| TotalMolweight | 469.523 |
| Molweight | 469.523 |
| MonoisotopicMass | 469.202636 |
| CLogP | 6.6267 |
| CLogS | -7.928 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 363.53 |
| Relative PSA | 0.20075 |
| PolarSurfaceArea | 78.77 |
| Druglikeness | 1.9585 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 12 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - 2-N-[(Z)-(4-fluorophenyl)methylideneamino]-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine | 2 - 2-N-[(Z)-(4-fluorophenyl)methylideneamino]-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine