N'-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-N-(2,4-dichlorophenyl)butanediamide
Formula:C15H12N3O2BrCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-N-(2,4-dichlorophenyl)butanediamide is not a drug-like molecule.
| MolName | N'-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-N-(2,4-dichlorophenyl)butanediamide |
| MolecularFormula | C15H12N3O2BrCl2S |
| Smiles | O=C(CCC(N/N=C\c(s1)ccc1Br)=O)Nc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C15H12BrCl2N3O2S/c16-13-4-2-10(24-13)8-19-21-15(23)6-5-14(22)20-12-3-1-9(17)7-11(12)18/h1-4,7-8H,5-6H2,(H,20,22)(H,21,23) |
| InChIK | AMHFVBGLEZYQQH-UHFFFAOYSA-N |
| TotalMolweight | 449.155 |
| Molweight | 449.155 |
| MonoisotopicMass | 446.921062 |
| CLogP | 5.0612 |
| CLogS | -6.398 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 289.13 |
| Relative PSA | 0.2797 |
| PolarSurfaceArea | 98.8 |
| Druglikeness | 1.5456 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-N-(2,4-dichlorophenyl)butanediamide | 2 - N'-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-N-(2,4-dichlorophenyl)butanediamide
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