2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
Formula:C20H17N2O2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C20H17N2O2ClS2 |
| Smiles | O=C(COc1c(CSc(cc2)ccc2Cl)cccc1)N/N=C/c1cccs1 |
| InChI | InChI=1S/C20H17ClN2O2S2/c21-16-7-9-17(10-8-16)27-14-15-4-1-2-6-19(15)25-13-20(24)23-22-12-18-5-3-11-26-18/h1-12H,13-14H2,(H,23,24) |
| InChIK | OQLVQUUFFQBFLJ-UHFFFAOYSA-N |
| TotalMolweight | 416.952 |
| Molweight | 416.952 |
| MonoisotopicMass | 416.041995 |
| CLogP | 5.2105 |
| CLogS | -6.676 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 313.12 |
| Relative PSA | 0.26782 |
| PolarSurfaceArea | 104.23 |
| Druglikeness | 5.9498 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
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