2-[4-[(Z)-[2,4-dioxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
Formula:C24H24N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-[2,4-dioxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide is a drug-like molecule.
| MolName | 2-[4-[(Z)-[2,4-dioxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide |
| MolecularFormula | C24H24N4O5S |
| Smiles | NC(COc1ccc(/C=C(/C(N2CC(N(CC3)CCN3c3ccccc3)=O)=O)\SC2=O)cc1)=O |
| InChI | InChI=1S/C24H24N4O5S/c25-21(29)16-33-19-8-6-17(7-9-19)14-20-23(31)28(24(32)34-20)15-22(30)27-12-10-26(11-13-27)18-4-2-1-3-5-18/h1-9,14H,10-13,15-16H2,(H2,25,29) |
| InChIK | LIEWWGYGYOIHDU-UHFFFAOYSA-N |
| TotalMolweight | 480.544 |
| Molweight | 480.544 |
| MonoisotopicMass | 480.146741 |
| CLogP | 1.3283 |
| CLogS | -3.475 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 351.2 |
| Relative PSA | 0.3006 |
| PolarSurfaceArea | 138.55 |
| Druglikeness | 8.1339 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.64706 |
| 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 | 6 |
| Amides | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-[2,4-dioxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide | 2 - 2-[4-[(Z)-[2,4-dioxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
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