N'-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
Formula:C23H17N3O3F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide |
| MolecularFormula | C23H17N3O3F4 |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1OCc(cc1)ccc1F)=O)Nc1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C23H17F4N3O3/c24-18-8-4-16(5-9-18)14-33-20-10-6-15(7-11-20)13-28-30-22(32)21(31)29-19-3-1-2-17(12-19)23(25,26)27/h1-13H,14H2,(H,29,31)(H,30,32) |
| InChIK | AHDFPCUEJKAUSF-UHFFFAOYSA-N |
| TotalMolweight | 459.398 |
| Molweight | 459.398 |
| MonoisotopicMass | 459.120604 |
| CLogP | 4.4411 |
| CLogS | -5.958 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 335.53 |
| Relative PSA | 0.21015 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | -3.8064 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide | 2 - N'-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off