2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-[3-(thietan-3-yloxy)phenyl]methylideneamino]acetamide
Formula:C19H18N2O2Cl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-[3-(thietan-3-yloxy)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-[3-(thietan-3-yloxy)phenyl]methylideneamino]acetamide |
| MolecularFormula | C19H18N2O2Cl2S2 |
| Smiles | O=C(CSCc(c(Cl)ccc1)c1Cl)N/N=C\c1cc(OC2CSC2)ccc1 |
| InChI | InChI=1S/C19H18Cl2N2O2S2/c20-17-5-2-6-18(21)16(17)11-27-12-19(24)23-22-8-13-3-1-4-14(7-13)25-15-9-26-10-15/h1-8,15H,9-12H2,(H,23,24) |
| InChIK | POZXVZVHERIKQV-UHFFFAOYSA-N |
| TotalMolweight | 441.402 |
| Molweight | 441.402 |
| MonoisotopicMass | 440.018672 |
| CLogP | 4.6478 |
| CLogS | -6.828 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 316.85 |
| Relative PSA | 0.25561 |
| PolarSurfaceArea | 101.29 |
| Druglikeness | 4.8866 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-[3-(thietan-3-yloxy)phenyl]methylideneamino]acetamide | 2 - 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-[3-(thietan-3-yloxy)phenyl]methylideneamino]acetamide
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