4,6-di(piperidin-1-yl)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1,3,5-triazin-2-amine
Formula:C25H28N7OF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4,6-di(piperidin-1-yl)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | 4,6-di(piperidin-1-yl)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1,3,5-triazin-2-amine |
| MolecularFormula | C25H28N7OF3 |
| Smiles | FC(c1cc(-c2ccc(/C=N/Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)o2)ccc1)(F)F |
| InChI | InChI=1S/C25H28F3N7O/c26-25(27,28)19-9-7-8-18(16-19)21-11-10-20(36-21)17-29-33-22-30-23(34-12-3-1-4-13-34)32-24(31-22)35-14-5-2-6-15-35/h7-11,16-17H,1-6,12-15H2,(H,30,31,32,33) |
| InChIK | LPOIQWIJILEYRC-UHFFFAOYSA-N |
| TotalMolweight | 499.539 |
| Molweight | 499.539 |
| MonoisotopicMass | 499.230742 |
| CLogP | 7.7157 |
| CLogS | -7.557 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 375.63 |
| Relative PSA | 0.20523 |
| PolarSurfaceArea | 82.68 |
| Druglikeness | -2.87 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 11 |
| Symmetricatoms | 12 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - 4,6-di(piperidin-1-yl)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1,3,5-triazin-2-amine | 2 - 4,6-di(piperidin-1-yl)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1,3,5-triazin-2-amine
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