N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(3-chlorophenyl)butanediamide
Formula:C17H15N3O2BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(3-chlorophenyl)butanediamide is a drug-like molecule.
| MolName | N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(3-chlorophenyl)butanediamide |
| MolecularFormula | C17H15N3O2BrCl |
| Smiles | O=C(CCC(N/N=C\c(cc1)ccc1Br)=O)Nc1cc(Cl)ccc1 |
| InChI | InChI=1S/C17H15BrClN3O2/c18-13-6-4-12(5-7-13)11-20-22-17(24)9-8-16(23)21-15-3-1-2-14(19)10-15/h1-7,10-11H,8-9H2,(H,21,23)(H,22,24) |
| InChIK | VSDILLOEYMBJBH-UHFFFAOYSA-N |
| TotalMolweight | 408.682 |
| Molweight | 408.682 |
| MonoisotopicMass | 407.003615 |
| CLogP | 4.3839 |
| CLogS | -5.635 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 277.77 |
| Relative PSA | 0.21784 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 1.8312 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(3-chlorophenyl)butanediamide | 2 - N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(3-chlorophenyl)butanediamide
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