2-[(4-chlorophenyl)methylsulfanyl]-N-[(Z)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide
Formula:C23H18N3O2ClS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(4-chlorophenyl)methylsulfanyl]-N-[(Z)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[(4-chlorophenyl)methylsulfanyl]-N-[(Z)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide |
| MolecularFormula | C23H18N3O2ClS2 |
| Smiles | O=C(CSCc(cc1)ccc1Cl)N/N=C\c(o1)ccc1Sc1cccc2cccnc12 |
| InChI | InChI=1S/C23H18ClN3O2S2/c24-18-8-6-16(7-9-18)14-30-15-21(28)27-26-13-19-10-11-22(29-19)31-20-5-1-3-17-4-2-12-25-23(17)20/h1-13H,14-15H2,(H,27,28) |
| InChIK | VPKAMCOUVWGWEJ-UHFFFAOYSA-N |
| TotalMolweight | 468 |
| Molweight | 468 |
| MonoisotopicMass | 467.052894 |
| CLogP | 5.4204 |
| CLogS | -7.18 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 347.72 |
| Relative PSA | 0.27629 |
| PolarSurfaceArea | 118.09 |
| Druglikeness | 6.7754 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(4-chlorophenyl)methylsulfanyl]-N-[(Z)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide | 2 - 2-[(4-chlorophenyl)methylsulfanyl]-N-[(Z)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide
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