N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-phenylacetamide
Formula:C20H18N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-phenylacetamide is a drug-like molecule.
| MolName | N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-phenylacetamide |
| MolecularFormula | C20H18N2O3S |
| Smiles | O=C(Cc1ccccc1)NCCN(C(/C(/S1)=C/c2ccccc2)=O)C1=O |
| InChI | InChI=1S/C20H18N2O3S/c23-18(14-16-9-5-2-6-10-16)21-11-12-22-19(24)17(26-20(22)25)13-15-7-3-1-4-8-15/h1-10,13H,11-12,14H2,(H,21,23) |
| InChIK | GXNJSBVCEQENOT-UHFFFAOYSA-N |
| TotalMolweight | 366.44 |
| Molweight | 366.44 |
| MonoisotopicMass | 366.103813 |
| CLogP | 2.6742 |
| CLogS | -3.989 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 278.01 |
| Relative PSA | 0.25762 |
| PolarSurfaceArea | 91.78 |
| Druglikeness | 5.8425 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-phenylacetamide | 2 - N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-phenylacetamide
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