4-(benzylsulfanylmethyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzamide
Formula:C22H18N2OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(benzylsulfanylmethyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-(benzylsulfanylmethyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzamide |
| MolecularFormula | C22H18N2OCl2S |
| Smiles | O=C(c1ccc(CSCc2ccccc2)cc1)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C22H18Cl2N2OS/c23-20-11-8-18(12-21(20)24)13-25-26-22(27)19-9-6-17(7-10-19)15-28-14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,26,27) |
| InChIK | OBRWEEDZCDTUFO-UHFFFAOYSA-N |
| TotalMolweight | 429.37 |
| Molweight | 429.37 |
| MonoisotopicMass | 428.051687 |
| CLogP | 6.3518 |
| CLogS | -7.866 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 322.6 |
| Relative PSA | 0.16584 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | 4.6069 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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