6-morpholin-4-yl-2-N-[(Z)-(3-phenoxyphenyl)methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4-diamine
Formula:C26H25N7O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
6-morpholin-4-yl-2-N-[(Z)-(3-phenoxyphenyl)methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.
| MolName | 6-morpholin-4-yl-2-N-[(Z)-(3-phenoxyphenyl)methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4-diamine |
| MolecularFormula | C26H25N7O2 |
| Smiles | C(COCC1)N1c1nc(N/N=C\c2cc(Oc3ccccc3)ccc2)nc(Nc2ccccc2)n1 |
| InChI | InChI=1S/C26H25N7O2/c1-3-9-21(10-4-1)28-24-29-25(31-26(30-24)33-14-16-34-17-15-33)32-27-19-20-8-7-13-23(18-20)35-22-11-5-2-6-12-22/h1-13,18-19H,14-17H2,(H2,28,29,30,31,32) |
| InChIK | XMHXHMDXKAZDCN-UHFFFAOYSA-N |
| TotalMolweight | 467.531 |
| Molweight | 467.531 |
| MonoisotopicMass | 467.206973 |
| CLogP | 6.8575 |
| CLogS | -7.313 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 368.34 |
| Relative PSA | 0.24676 |
| PolarSurfaceArea | 96.79 |
| Druglikeness | 3.4259 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - 6-morpholin-4-yl-2-N-[(Z)-(3-phenoxyphenyl)methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4-diamine | 2 - 6-morpholin-4-yl-2-N-[(Z)-(3-phenoxyphenyl)methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4-diamine
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