N-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-(2,4-dichlorophenoxy)acetamide
Formula:C18H12N2O3Cl2S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-(2,4-dichlorophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-(2,4-dichlorophenoxy)acetamide |
| MolecularFormula | C18H12N2O3Cl2S2 |
| Smiles | O=C(COc(ccc(Cl)c1)c1Cl)NN(C(/C(/S1)=C/c2ccccc2)=O)C1=S |
| InChI | InChI=1S/C18H12Cl2N2O3S2/c19-12-6-7-14(13(20)9-12)25-10-16(23)21-22-17(24)15(27-18(22)26)8-11-4-2-1-3-5-11/h1-9H,10H2,(H,21,23) |
| InChIK | MLXUCCFFAJQAEH-UHFFFAOYSA-N |
| TotalMolweight | 439.342 |
| Molweight | 439.342 |
| MonoisotopicMass | 437.966637 |
| CLogP | 2.2581 |
| CLogS | -5.936 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 306.29 |
| Relative PSA | 0.31532 |
| PolarSurfaceArea | 116.03 |
| Druglikeness | 3.9767 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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