2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
Formula:C22H18N2O2ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide |
| MolecularFormula | C22H18N2O2ClFS |
| Smiles | O=C(CSc(cc1)ccc1Cl)N/N=C\c(cc1)ccc1OCc(cc1)ccc1F |
| InChI | InChI=1S/C22H18ClFN2O2S/c23-18-5-11-21(12-6-18)29-15-22(27)26-25-13-16-3-9-20(10-4-16)28-14-17-1-7-19(24)8-2-17/h1-13H,14-15H2,(H,26,27) |
| InChIK | FADSHVPMSNXOHG-UHFFFAOYSA-N |
| TotalMolweight | 428.914 |
| Molweight | 428.914 |
| MonoisotopicMass | 428.076153 |
| CLogP | 5.4693 |
| CLogS | -6.654 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 323.53 |
| Relative PSA | 0.19627 |
| PolarSurfaceArea | 75.99 |
| Druglikeness | 3.1444 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75862 |
| Fragments | 1 |
| Non HAtoms | 29 |
| 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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1 - 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide | 2 - 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
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