N'-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
Formula:C24H18N4O4ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide is not a drug-like molecule.
| MolName | N'-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide |
| MolecularFormula | C24H18N4O4ClF3 |
| Smiles | O=C(COc1ccc(/C=N\NC(C(Nc2cc(C(F)(F)F)ccc2)=O)=O)cc1)Nc(cccc1)c1Cl |
| InChI | InChI=1S/C24H18ClF3N4O4/c25-19-6-1-2-7-20(19)31-21(33)14-36-18-10-8-15(9-11-18)13-29-32-23(35)22(34)30-17-5-3-4-16(12-17)24(26,27)28/h1-13H,14H2,(H,30,34)(H,31,33)(H,32,35) |
| InChIK | VDNHMTOYQPIJJA-UHFFFAOYSA-N |
| TotalMolweight | 518.878 |
| Molweight | 518.878 |
| MonoisotopicMass | 518.096867 |
| CLogP | 4.3206 |
| CLogS | -6.331 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 373.81 |
| Relative PSA | 0.25417 |
| PolarSurfaceArea | 108.89 |
| Druglikeness | -3.6146 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.63889 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - N'-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide | 2 - N'-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
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