N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
Formula:C27H20N2O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide |
| MolecularFormula | C27H20N2O2F2 |
| Smiles | O=C(c1ccc(COc(cccc2)c2-c2ccccc2)cc1)N/N=C\c(c(F)ccc1)c1F |
| InChI | InChI=1S/C27H20F2N2O2/c28-24-10-6-11-25(29)23(24)17-30-31-27(32)21-15-13-19(14-16-21)18-33-26-12-5-4-9-22(26)20-7-2-1-3-8-20/h1-17H,18H2,(H,31,32) |
| InChIK | DWIAPADZURVBGI-UHFFFAOYSA-N |
| TotalMolweight | 442.464 |
| Molweight | 442.464 |
| MonoisotopicMass | 442.149284 |
| CLogP | 6.4105 |
| CLogS | -7.776 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 342.97 |
| Relative PSA | 0.13415 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.6805 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| StereoCon |
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