2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide
Formula:C33H26N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide |
| MolecularFormula | C33H26N3O2Cl |
| Smiles | O=C(c(cccc1)c1OCc(cccc1)c1Cl)N/N=C\c(cc1)ccc1N(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C33H26ClN3O2/c34-31-17-9-7-11-26(31)24-39-32-18-10-8-16-30(32)33(38)36-35-23-25-19-21-29(22-20-25)37(27-12-3-1-4-13-27)28-14-5-2-6-15-28/h1-23H,24H2,(H,36,38) |
| InChIK | WRLAAKFGYYMINE-UHFFFAOYSA-N |
| TotalMolweight | 532.041 |
| Molweight | 532.041 |
| MonoisotopicMass | 531.171354 |
| CLogP | 7.7501 |
| CLogS | -9.974 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 415.75 |
| Relative PSA | 0.11921 |
| PolarSurfaceArea | 53.93 |
| Druglikeness | 4.6625 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 2 |
| Symmetricatoms | 10 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide | 2 - 2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide
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