| MolName | 2-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine |
| MolecularFormula | C26H23N7OCl2 |
| Smiles | Clc1cc(Cl)c(/C=N\Nc2nc(N3CCOCC3)nc(N(c3ccccc3)c3ccccc3)n2)cc1 |
| InChI | InChI=1S/C26H23Cl2N7O/c27-20-12-11-19(23(28)17-20)18-29-33-24-30-25(34-13-15-36-16-14-34)32-26(31-24)35(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-12,17-18H,13-16H2,(H,30,31,32,33) |
| InChIK | RIDJPHPTIJLVQU-UHFFFAOYSA-N |
| TotalMolweight | 520.423 |
| Molweight | 520.423 |
| MonoisotopicMass | 519.134112 |
| CLogP | 7.7379 |
| CLogS | -9.086 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 388.02 |
| Relative PSA | 0.18808 |
| PolarSurfaceArea | 78.77 |
| Druglikeness | 3.3122 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - 2-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine | 2 - 2-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine