N'-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
Formula:C22H16N3O3Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide |
| MolecularFormula | C22H16N3O3Cl2F |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1OCc(c(Cl)ccc1)c1Cl)=O)Nc(cccc1)c1F |
| InChI | InChI=1S/C22H16Cl2FN3O3/c23-17-4-3-5-18(24)16(17)13-31-15-10-8-14(9-11-15)12-26-28-22(30)21(29)27-20-7-2-1-6-19(20)25/h1-12H,13H2,(H,27,29)(H,28,30) |
| InChIK | UXJQCMMBZJSIOX-UHFFFAOYSA-N |
| TotalMolweight | 460.291 |
| Molweight | 460.291 |
| MonoisotopicMass | 459.055274 |
| CLogP | 4.8048 |
| CLogS | -6.652 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 336.91 |
| Relative PSA | 0.20928 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 2.0749 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide | 2 - N'-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
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