N-[(Z)-(4-cyanophenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
Formula:C28H21N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-cyanophenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-cyanophenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide |
| MolecularFormula | C28H21N3O2 |
| Smiles | N#Cc1ccc(/C=N\NC(c2ccc(COc(cccc3)c3-c3ccccc3)cc2)=O)cc1 |
| InChI | InChI=1S/C28H21N3O2/c29-18-21-10-12-22(13-11-21)19-30-31-28(32)25-16-14-23(15-17-25)20-33-27-9-5-4-8-26(27)24-6-2-1-3-7-24/h1-17,19H,20H2,(H,31,32) |
| InChIK | IBVYOQOJQGVMBA-UHFFFAOYSA-N |
| TotalMolweight | 431.494 |
| Molweight | 431.494 |
| MonoisotopicMass | 431.163377 |
| CLogP | 6.0445 |
| CLogS | -7.921 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 351.98 |
| Relative PSA | 0.16924 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -0.2595 |
| 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 | 33 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - N-[(Z)-(4-cyanophenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide | 2 - N-[(Z)-(4-cyanophenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
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