N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide
Formula:C22H17N2O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide |
| MolecularFormula | C22H17N2O3F3 |
| Smiles | O=C(c(cccc1)c1OCc(cc1)ccc1F)N/N=C\c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C22H17F3N2O3/c23-17-9-5-16(6-10-17)14-29-20-4-2-1-3-19(20)21(28)27-26-13-15-7-11-18(12-8-15)30-22(24)25/h1-13,22H,14H2,(H,27,28) |
| InChIK | FBJYVKJJIUWAQC-UHFFFAOYSA-N |
| TotalMolweight | 414.382 |
| Molweight | 414.382 |
| MonoisotopicMass | 414.119127 |
| CLogP | 4.8199 |
| CLogS | -5.998 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 312.06 |
| Relative PSA | 0.17948 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 1.237 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| StereoCon |
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