(5E)-3-[2-(4-chlorophenyl)ethyl]-2-phenylimino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
Formula:C23H18N3OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-[2-(4-chlorophenyl)ethyl]-2-phenylimino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-[2-(4-chlorophenyl)ethyl]-2-phenylimino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one |
| MolecularFormula | C23H18N3OClS |
| Smiles | O=C(/C(/S1)=C\c2cnccc2)N(CCc(cc2)ccc2Cl)/C1=N/c1ccccc1 |
| InChI | InChI=1S/C23H18ClN3OS/c24-19-10-8-17(9-11-19)12-14-27-22(28)21(15-18-5-4-13-25-16-18)29-23(27)26-20-6-2-1-3-7-20/h1-11,13,15-16H,12,14H2 |
| InChIK | USJMPEKXIMQRPT-UHFFFAOYSA-N |
| TotalMolweight | 419.935 |
| Molweight | 419.935 |
| MonoisotopicMass | 419.085909 |
| CLogP | 4.6361 |
| CLogS | -5.381 |
| H Acceptors | 4 |
| TotalSurfaceArea | 314.2 |
| Relative PSA | 0.18001 |
| PolarSurfaceArea | 70.86 |
| Druglikeness | 4.7374 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5E)-3-[2-(4-chlorophenyl)ethyl]-2-phenylimino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one | 2 - (5E)-3-[2-(4-chlorophenyl)ethyl]-2-phenylimino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
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