4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]benzamide
Formula:C23H18N3O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]benzamide |
| MolecularFormula | C23H18N3O2ClS |
| Smiles | N#CCOc1ccc(/C=N\NC(c2ccc(CSc(cc3)ccc3Cl)cc2)=O)cc1 |
| InChI | InChI=1S/C23H18ClN3O2S/c24-20-7-11-22(12-8-20)30-16-18-1-5-19(6-2-18)23(28)27-26-15-17-3-9-21(10-4-17)29-14-13-25/h1-12,15H,14,16H2,(H,27,28) |
| InChIK | UYAKFEZNJGZZAO-UHFFFAOYSA-N |
| TotalMolweight | 435.934 |
| Molweight | 435.934 |
| MonoisotopicMass | 435.080824 |
| CLogP | 5.3509 |
| CLogS | -7.352 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 338.89 |
| Relative PSA | 0.22739 |
| PolarSurfaceArea | 99.78 |
| Druglikeness | 0.10666 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.76667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| StereoCon |
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