N-benzyl-2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-phenylacetamide
Formula:C23H18N2O2S3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-benzyl-2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-phenylacetamide is a drug-like molecule.
| MolName | N-benzyl-2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-phenylacetamide |
| MolecularFormula | C23H18N2O2S3 |
| Smiles | O=C(CN(C(/C(/S1)=C/c2cccs2)=O)C1=S)N(Cc1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C23H18N2O2S3/c26-21(16-25-22(27)20(30-23(25)28)14-19-12-7-13-29-19)24(18-10-5-2-6-11-18)15-17-8-3-1-4-9-17/h1-14H,15-16H2 |
| InChIK | WQLCHOVVCBMUTO-UHFFFAOYSA-N |
| TotalMolweight | 450.606 |
| Molweight | 450.606 |
| MonoisotopicMass | 450.053038 |
| CLogP | 3.7236 |
| CLogS | -5.721 |
| H Acceptors | 4 |
| TotalSurfaceArea | 333.75 |
| Relative PSA | 0.29672 |
| PolarSurfaceArea | 126.25 |
| Druglikeness | 4.6524 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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