N-(2,4-dichlorophenyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]butanediamide
Formula:C15H13N3O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2,4-dichlorophenyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]butanediamide is a drug-like molecule.
| MolName | N-(2,4-dichlorophenyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]butanediamide |
| MolecularFormula | C15H13N3O2Cl2S |
| Smiles | O=C(CCC(N/N=C\c1cccs1)=O)Nc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C15H13Cl2N3O2S/c16-10-3-4-13(12(17)8-10)19-14(21)5-6-15(22)20-18-9-11-2-1-7-23-11/h1-4,7-9H,5-6H2,(H,19,21)(H,20,22) |
| InChIK | QUXNFMZQFKFLHP-UHFFFAOYSA-N |
| TotalMolweight | 370.259 |
| Molweight | 370.259 |
| MonoisotopicMass | 369.010551 |
| CLogP | 4.1313 |
| CLogS | -5.547 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 270.5 |
| Relative PSA | 0.29896 |
| PolarSurfaceArea | 98.8 |
| Druglikeness | 5.2496 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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-(2,4-dichlorophenyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]butanediamide | 2 - N-(2,4-dichlorophenyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]butanediamide
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