2-[2-[(Z)-[3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
Formula:C24H17N3O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide is a drug-like molecule.
| MolName | 2-[2-[(Z)-[3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide |
| MolecularFormula | C24H17N3O3Cl2S |
| Smiles | NC(COc1c(/C=C(/C(N2c(cc3)ccc3Cl)=O)\S/C2=N\c(cc2)ccc2Cl)cccc1)=O |
| InChI | InChI=1S/C24H17Cl2N3O3S/c25-16-5-9-18(10-6-16)28-24-29(19-11-7-17(26)8-12-19)23(31)21(33-24)13-15-3-1-2-4-20(15)32-14-22(27)30/h1-13H,14H2,(H2,27,30) |
| InChIK | COKRASFURAYPNU-UHFFFAOYSA-N |
| TotalMolweight | 498.389 |
| Molweight | 498.389 |
| MonoisotopicMass | 497.036766 |
| CLogP | 4.5522 |
| CLogS | -7.191 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 353.37 |
| Relative PSA | 0.23743 |
| PolarSurfaceArea | 110.29 |
| Druglikeness | 3.8205 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - 2-[2-[(Z)-[3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide | 2 - 2-[2-[(Z)-[3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
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