4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide
Formula:C22H16N3OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide |
| MolecularFormula | C22H16N3OClS |
| Smiles | N#Cc1ccc(/C=N\NC(c2ccc(CSc(cc3)ccc3Cl)cc2)=O)cc1 |
| InChI | InChI=1S/C22H16ClN3OS/c23-20-9-11-21(12-10-20)28-15-18-5-7-19(8-6-18)22(27)26-25-14-17-3-1-16(13-24)2-4-17/h1-12,14H,15H2,(H,26,27) |
| InChIK | XLNZBLQELMQOSE-UHFFFAOYSA-N |
| TotalMolweight | 405.908 |
| Molweight | 405.908 |
| MonoisotopicMass | 405.070259 |
| CLogP | 5.6046 |
| CLogS | -7.659 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 315.13 |
| Relative PSA | 0.2128 |
| PolarSurfaceArea | 90.55 |
| Druglikeness | 0.45 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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