N-benzyl-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]butanediamide
Formula:C18H17N3O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]butanediamide is a drug-like molecule.
| MolName | N-benzyl-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]butanediamide |
| MolecularFormula | C18H17N3O2Cl2 |
| Smiles | O=C(CCC(N/N=C\c1cccc(Cl)c1Cl)=O)NCc1ccccc1 |
| InChI | InChI=1S/C18H17Cl2N3O2/c19-15-8-4-7-14(18(15)20)12-22-23-17(25)10-9-16(24)21-11-13-5-2-1-3-6-13/h1-8,12H,9-11H2,(H,21,24)(H,23,25) |
| InChIK | UNPHUUMOTMVKEG-UHFFFAOYSA-N |
| TotalMolweight | 378.258 |
| Molweight | 378.258 |
| MonoisotopicMass | 377.069781 |
| CLogP | 3.9741 |
| CLogS | -5.353 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 288.32 |
| Relative PSA | 0.20987 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.9841 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-benzyl-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]butanediamide | 2 - N-benzyl-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]butanediamide
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