2-[2-[(Z)-[3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
Formula:C20H15N2O6ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide is a drug-like molecule.
| MolName | 2-[2-[(Z)-[3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide |
| MolecularFormula | C20H15N2O6ClS |
| Smiles | NC(COc1c(/C=C(/C(N2Cc(cc3OCOc3c3)c3Cl)=O)\SC2=O)cccc1)=O |
| InChI | InChI=1S/C20H15ClN2O6S/c21-13-7-16-15(28-10-29-16)5-12(13)8-23-19(25)17(30-20(23)26)6-11-3-1-2-4-14(11)27-9-18(22)24/h1-7H,8-10H2,(H2,22,24) |
| InChIK | BCCQOYOEAQZITQ-UHFFFAOYSA-N |
| TotalMolweight | 446.866 |
| Molweight | 446.866 |
| MonoisotopicMass | 446.033935 |
| CLogP | 2.54 |
| CLogS | -5.426 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 306.99 |
| Relative PSA | 0.34343 |
| PolarSurfaceArea | 133.46 |
| Druglikeness | 4.7387 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[2-[(Z)-[3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide | 2 - 2-[2-[(Z)-[3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
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