2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C23H18N2O2ClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C23H18N2O2ClF3S |
| Smiles | O=C(COc1c(CSc(cc2)ccc2Cl)cccc1)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C23H18ClF3N2O2S/c24-19-9-11-20(12-10-19)32-15-17-3-1-2-4-21(17)31-14-22(30)29-28-13-16-5-7-18(8-6-16)23(25,26)27/h1-13H,14-15H2,(H,29,30) |
| InChIK | IUZXXRWNFDSRAQ-UHFFFAOYSA-N |
| TotalMolweight | 478.921 |
| Molweight | 478.921 |
| MonoisotopicMass | 478.072959 |
| CLogP | 6.1922 |
| CLogS | -7.444 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 346.64 |
| Relative PSA | 0.18319 |
| PolarSurfaceArea | 75.99 |
| Druglikeness | -2.6302 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - 2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
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