4,6-dimorpholin-4-yl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazin-2-amine
Formula:C19H22N7O2F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4,6-dimorpholin-4-yl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazin-2-amine is a drug-like molecule.
| MolName | 4,6-dimorpholin-4-yl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazin-2-amine |
| MolecularFormula | C19H22N7O2F3 |
| Smiles | FC(c1cc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1)(F)F |
| InChI | InChI=1S/C19H22F3N7O2/c20-19(21,22)15-3-1-2-14(12-15)13-23-27-16-24-17(28-4-8-30-9-5-28)26-18(25-16)29-6-10-31-11-7-29/h1-3,12-13H,4-11H2,(H,24,25,26,27) |
| InChIK | WPOUPENEHATHKV-UHFFFAOYSA-N |
| TotalMolweight | 437.425 |
| Molweight | 437.425 |
| MonoisotopicMass | 437.178707 |
| CLogP | 4.4488 |
| CLogS | -4.319 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 318.66 |
| Relative PSA | 0.2604 |
| PolarSurfaceArea | 88 |
| Druglikeness | -3.8915 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 12 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - 4,6-dimorpholin-4-yl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazin-2-amine | 2 - 4,6-dimorpholin-4-yl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazin-2-amine
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