N-[(Z)-[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylpropanamide
Formula:C23H18N2O2Br2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylpropanamide is not a drug-like molecule.
| MolName | N-[(Z)-[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylpropanamide |
| MolecularFormula | C23H18N2O2Br2Cl2 |
| Smiles | O=C(CCc1ccccc1)N/N=C\c(cc1Br)cc(Br)c1OCc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C23H18Br2Cl2N2O2/c24-19-10-16(13-28-29-22(30)9-6-15-4-2-1-3-5-15)11-20(25)23(19)31-14-17-7-8-18(26)12-21(17)27/h1-5,7-8,10-13H,6,9,14H2,(H,29,30) |
| InChIK | CXFRKOCKMFCCGT-UHFFFAOYSA-N |
| TotalMolweight | 585.122 |
| Molweight | 585.122 |
| MonoisotopicMass | 581.911204 |
| CLogP | 7.6646 |
| CLogS | -8.437 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 366.13 |
| Relative PSA | 0.12567 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 1.1249 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| 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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1 - N-[(Z)-[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylpropanamide | 2 - N-[(Z)-[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylpropanamide
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