4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
Formula:C22H16N2OClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide |
| MolecularFormula | C22H16N2OClF3S |
| Smiles | O=C(c1ccc(CSc(cc2)ccc2Cl)cc1)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C22H16ClF3N2OS/c23-19-9-11-20(12-10-19)30-14-16-1-5-17(6-2-16)21(29)28-27-13-15-3-7-18(8-4-15)22(24,25)26/h1-13H,14H2,(H,28,29) |
| InChIK | OWPGJCCPRAPFDF-UHFFFAOYSA-N |
| TotalMolweight | 448.895 |
| Molweight | 448.895 |
| MonoisotopicMass | 448.062394 |
| CLogP | 6.6173 |
| CLogS | -7.664 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 322.88 |
| Relative PSA | 0.1657 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | -2.46 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| StereoCon |
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