4-N,6-N-diphenyl-2-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1,3,5-triazine-2,4,6-triamine
Formula:C27H20N7OF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-N,6-N-diphenyl-2-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.
| MolName | 4-N,6-N-diphenyl-2-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1,3,5-triazine-2,4,6-triamine |
| MolecularFormula | C27H20N7OF3 |
| Smiles | FC(c1cc(-c2ccc(/C=N\Nc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)o2)ccc1)(F)F |
| InChI | InChI=1S/C27H20F3N7O/c28-27(29,30)19-9-7-8-18(16-19)23-15-14-22(38-23)17-31-37-26-35-24(32-20-10-3-1-4-11-20)34-25(36-26)33-21-12-5-2-6-13-21/h1-17H,(H3,32,33,34,35,36,37) |
| InChIK | YFUSIASEJKBXET-UHFFFAOYSA-N |
| TotalMolweight | 515.498 |
| Molweight | 515.498 |
| MonoisotopicMass | 515.168142 |
| CLogP | 9.1105 |
| CLogS | -8.729 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 386.87 |
| Relative PSA | 0.24016 |
| PolarSurfaceArea | 100.26 |
| Druglikeness | -2.6777 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 1 |
| Symmetricatoms | 13 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 4-N,6-N-diphenyl-2-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1,3,5-triazine-2,4,6-triamine | 2 - 4-N,6-N-diphenyl-2-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1,3,5-triazine-2,4,6-triamine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off