N-[(Z)-[5-(2-anilino-2-oxoethyl)sulfanylfuran-2-yl]methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide
Formula:C22H20N3O3ClS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-anilino-2-oxoethyl)sulfanylfuran-2-yl]methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(2-anilino-2-oxoethyl)sulfanylfuran-2-yl]methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide |
| MolecularFormula | C22H20N3O3ClS2 |
| Smiles | O=C(CSc1ccc(/C=N\NC(CSCc(cc2)ccc2Cl)=O)o1)Nc1ccccc1 |
| InChI | InChI=1S/C22H20ClN3O3S2/c23-17-8-6-16(7-9-17)13-30-14-21(28)26-24-12-19-10-11-22(29-19)31-15-20(27)25-18-4-2-1-3-5-18/h1-12H,13-15H2,(H,25,27)(H,26,28) |
| InChIK | SICQFUACEHVZDY-UHFFFAOYSA-N |
| TotalMolweight | 474.004 |
| Molweight | 474.004 |
| MonoisotopicMass | 473.063459 |
| CLogP | 4.6436 |
| CLogS | -6.742 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 357.33 |
| Relative PSA | 0.30672 |
| PolarSurfaceArea | 134.3 |
| Druglikeness | 7.1839 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.74194 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[5-(2-anilino-2-oxoethyl)sulfanylfuran-2-yl]methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide | 2 - N-[(Z)-[5-(2-anilino-2-oxoethyl)sulfanylfuran-2-yl]methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide
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