2-[2-chloro-4-[(Z)-[2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide
Formula:C24H22N3O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-chloro-4-[(Z)-[2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide is a drug-like molecule.
| MolName | 2-[2-chloro-4-[(Z)-[2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide |
| MolecularFormula | C24H22N3O5ClS |
| Smiles | O=C(COc(ccc(/C=C(/C(N1CC(N2CCCC2)=O)=O)\SC1=O)c1)c1Cl)Nc1ccccc1 |
| InChI | InChI=1S/C24H22ClN3O5S/c25-18-12-16(8-9-19(18)33-15-21(29)26-17-6-2-1-3-7-17)13-20-23(31)28(24(32)34-20)14-22(30)27-10-4-5-11-27/h1-3,6-9,12-13H,4-5,10-11,14-15H2,(H,26,29) |
| InChIK | JHNUHGIGSYCVFO-UHFFFAOYSA-N |
| TotalMolweight | 499.974 |
| Molweight | 499.974 |
| MonoisotopicMass | 499.096869 |
| CLogP | 3.2119 |
| CLogS | -4.906 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 359.26 |
| Relative PSA | 0.27337 |
| PolarSurfaceArea | 121.32 |
| Druglikeness | 5.5401 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 3 |
| StereoCon |
Click to Load Molecule:
1 - 2-[2-chloro-4-[(Z)-[2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide | 2 - 2-[2-chloro-4-[(Z)-[2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide
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