N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-fluorophenoxy)acetamide
Formula:C22H18N2O3BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-fluorophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-fluorophenoxy)acetamide |
| MolecularFormula | C22H18N2O3BrF |
| Smiles | O=C(COc(cc1)ccc1F)N/N=C\c(cccc1)c1OCc1cccc(Br)c1 |
| InChI | InChI=1S/C22H18BrFN2O3/c23-18-6-3-4-16(12-18)14-29-21-7-2-1-5-17(21)13-25-26-22(27)15-28-20-10-8-19(24)9-11-20/h1-13H,14-15H2,(H,26,27) |
| InChIK | XZDJUUIVEFVIRV-UHFFFAOYSA-N |
| TotalMolweight | 457.298 |
| Molweight | 457.298 |
| MonoisotopicMass | 456.048482 |
| CLogP | 4.9506 |
| CLogS | -5.99 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 319.25 |
| Relative PSA | 0.17544 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 1.0666 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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