N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
Formula:C24H24N4O4ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide is not a drug-like molecule.
| MolName | N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide |
| MolecularFormula | C24H24N4O4ClF3 |
| Smiles | O=C(COc1ccc(/C=N\NC(C(Nc(cc2)cc(C(F)(F)F)c2Cl)=O)=O)cc1)NC1CCCCC1 |
| InChI | InChI=1S/C24H24ClF3N4O4/c25-20-11-8-17(12-19(20)24(26,27)28)31-22(34)23(35)32-29-13-15-6-9-18(10-7-15)36-14-21(33)30-16-4-2-1-3-5-16/h6-13,16H,1-5,14H2,(H,30,33)(H,31,34)(H,32,35) |
| InChIK | WMWZYVDLXQBSQK-UHFFFAOYSA-N |
| TotalMolweight | 524.926 |
| Molweight | 524.926 |
| MonoisotopicMass | 524.143817 |
| CLogP | 4.1676 |
| CLogS | -6.398 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 381.85 |
| Relative PSA | 0.24881 |
| PolarSurfaceArea | 108.89 |
| Druglikeness | -7.8263 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| 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 | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
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1 - N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide | 2 - N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
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