(5E)-3-(2-phenylethyl)-2-phenylimino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
Formula:C22H18N2OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-(2-phenylethyl)-2-phenylimino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-(2-phenylethyl)-2-phenylimino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one |
| MolecularFormula | C22H18N2OS2 |
| Smiles | O=C(/C(/S1)=C\c2cccs2)N(CCc2ccccc2)/C1=N\c1ccccc1 |
| InChI | InChI=1S/C22H18N2OS2/c25-21-20(16-19-12-7-15-26-19)27-22(23-18-10-5-2-6-11-18)24(21)14-13-17-8-3-1-4-9-17/h1-12,15-16H,13-14H2 |
| InChIK | YCLHWJHRABQPON-UHFFFAOYSA-N |
| TotalMolweight | 390.53 |
| Molweight | 390.53 |
| MonoisotopicMass | 390.086053 |
| CLogP | 4.8976 |
| CLogS | -5.45 |
| H Acceptors | 3 |
| TotalSurfaceArea | 295.96 |
| Relative PSA | 0.22283 |
| PolarSurfaceArea | 86.21 |
| Druglikeness | 5.1867 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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