2-[2-[(Z)-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
Formula:C19H14N2O4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide is a drug-like molecule.
| MolName | 2-[2-[(Z)-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide |
| MolecularFormula | C19H14N2O4Cl2S |
| Smiles | NC(COc1c(/C=C(/C(N2Cc(ccc(Cl)c3)c3Cl)=O)\SC2=O)cccc1)=O |
| InChI | InChI=1S/C19H14Cl2N2O4S/c20-13-6-5-12(14(21)8-13)9-23-18(25)16(28-19(23)26)7-11-3-1-2-4-15(11)27-10-17(22)24/h1-8H,9-10H2,(H2,22,24) |
| InChIK | XKUYVTLKRGXTOL-UHFFFAOYSA-N |
| TotalMolweight | 437.302 |
| Molweight | 437.302 |
| MonoisotopicMass | 436.005132 |
| CLogP | 3.0346 |
| CLogS | -5.451 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 302.15 |
| Relative PSA | 0.28274 |
| PolarSurfaceArea | 115 |
| Druglikeness | 4.7606 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[2-[(Z)-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide | 2 - 2-[2-[(Z)-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
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