N-(4-chlorophenyl)-2-[2,5-dioxo-3-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]pyrrolidin-1-yl]acetamide
Formula:C24H18N3O4ClS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-(4-chlorophenyl)-2-[2,5-dioxo-3-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]pyrrolidin-1-yl]acetamide is not a drug-like molecule.
| MolName | N-(4-chlorophenyl)-2-[2,5-dioxo-3-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]pyrrolidin-1-yl]acetamide |
| MolecularFormula | C24H18N3O4ClS2 |
| Smiles | O=C(CN(C(CC1N(C(/C(/S2)=C/C=C/c3ccccc3)=O)C2=S)=O)C1=O)Nc(cc1)ccc1Cl |
| InChI | InChI=1S/C24H18ClN3O4S2/c25-16-9-11-17(12-10-16)26-20(29)14-27-21(30)13-18(22(27)31)28-23(32)19(34-24(28)33)8-4-7-15-5-2-1-3-6-15/h1-12,18H,13-14H2,(H,26,29)/t18-/m1/s1 |
| InChIK | YCQWGITXBUWKTP-GOSISDBHSA-N |
| TotalMolweight | 512.009 |
| Molweight | 512.009 |
| MonoisotopicMass | 511.042724 |
| CLogP | 2.4788 |
| CLogS | -5.341 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 365.93 |
| Relative PSA | 0.31757 |
| PolarSurfaceArea | 144.18 |
| Druglikeness | 6.6874 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 3 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-(4-chlorophenyl)-2-[2,5-dioxo-3-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]pyrrolidin-1-yl]acetamide | 2 - N-(4-chlorophenyl)-2-[2,5-dioxo-3-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]pyrrolidin-1-yl]acetamide
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