N'-[(Z)-[2-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
Formula:C24H17N4O4Cl2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-[2-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide is not a drug-like molecule.
| MolName | N'-[(Z)-[2-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide |
| MolecularFormula | C24H17N4O4Cl2F3 |
| Smiles | O=C(COc1c(/C=N\NC(C(Nc2cc(C(F)(F)F)ccc2)=O)=O)cccc1)Nc(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C24H17Cl2F3N4O4/c25-18-9-8-17(11-19(18)26)31-21(34)13-37-20-7-2-1-4-14(20)12-30-33-23(36)22(35)32-16-6-3-5-15(10-16)24(27,28)29/h1-12H,13H2,(H,31,34)(H,32,35)(H,33,36) |
| InChIK | MIKPOGQXSYJDPF-UHFFFAOYSA-N |
| TotalMolweight | 553.323 |
| Molweight | 553.323 |
| MonoisotopicMass | 552.057894 |
| CLogP | 4.9266 |
| CLogS | -7.067 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 389.23 |
| Relative PSA | 0.2441 |
| PolarSurfaceArea | 108.89 |
| Druglikeness | -3.6146 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.59459 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(Z)-[2-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide | 2 - N'-[(Z)-[2-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
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