(5Z)-3-benzyl-2-benzylimino-5-[(2-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
Formula:C24H19N2OClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(5Z)-3-benzyl-2-benzylimino-5-[(2-chlorophenyl)methylidene]-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-3-benzyl-2-benzylimino-5-[(2-chlorophenyl)methylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C24H19N2OClS |
| Smiles | O=C(/C(/S1)=C/c(cccc2)c2Cl)N(Cc2ccccc2)/C1=N/Cc1ccccc1 |
| InChI | InChI=1S/C24H19ClN2OS/c25-21-14-8-7-13-20(21)15-22-23(28)27(17-19-11-5-2-6-12-19)24(29-22)26-16-18-9-3-1-4-10-18/h1-15H,16-17H2 |
| InChIK | NMDPKPMXLRZCBR-UHFFFAOYSA-N |
| TotalMolweight | 418.947 |
| Molweight | 418.947 |
| MonoisotopicMass | 418.09066 |
| CLogP | 5.3109 |
| CLogS | -6.225 |
| H Acceptors | 3 |
| TotalSurfaceArea | 315.44 |
| Relative PSA | 0.14453 |
| PolarSurfaceArea | 57.97 |
| Druglikeness | 4.8353 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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