6-morpholin-4-yl-4-N-phenyl-2-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine
Formula:C27H27N7O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
6-morpholin-4-yl-4-N-phenyl-2-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine is not a drug-like molecule.
| MolName | 6-morpholin-4-yl-4-N-phenyl-2-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine |
| MolecularFormula | C27H27N7O2 |
| Smiles | C(c1ccccc1)Oc1cccc(/C=N\Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1 |
| InChI | InChI=1S/C27H27N7O2/c1-3-8-21(9-4-1)20-36-24-13-7-10-22(18-24)19-28-33-26-30-25(29-23-11-5-2-6-12-23)31-27(32-26)34-14-16-35-17-15-34/h1-13,18-19H,14-17,20H2,(H2,29,30,31,32,33) |
| InChIK | LMLYNAKGQNIBCW-UHFFFAOYSA-N |
| TotalMolweight | 481.558 |
| Molweight | 481.558 |
| MonoisotopicMass | 481.222623 |
| CLogP | 6.81 |
| CLogS | -6.357 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 382.1 |
| Relative PSA | 0.23787 |
| PolarSurfaceArea | 96.79 |
| Druglikeness | 3.4259 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - 6-morpholin-4-yl-4-N-phenyl-2-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine | 2 - 6-morpholin-4-yl-4-N-phenyl-2-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine
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