N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]oxolane-2-carboxamide
Formula:C17H16N2O4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]oxolane-2-carboxamide is a drug-like molecule.
| MolName | N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]oxolane-2-carboxamide |
| MolecularFormula | C17H16N2O4Cl2S |
| Smiles | O=C(C1OCCC1)NCCN(C(/C(/S1)=C/c(ccc(Cl)c2)c2Cl)=O)C1=O |
| InChI | InChI=1S/C17H16Cl2N2O4S/c18-11-4-3-10(12(19)9-11)8-14-16(23)21(17(24)26-14)6-5-20-15(22)13-2-1-7-25-13/h3-4,8-9,13H,1-2,5-7H2,(H,20,22)/t13-/m0/s1 |
| InChIK | VJMZNAFCGWOERR-ZDUSSCGKSA-N |
| TotalMolweight | 415.296 |
| Molweight | 415.296 |
| MonoisotopicMass | 414.020782 |
| CLogP | 2.3378 |
| CLogS | -4.711 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 285.61 |
| Relative PSA | 0.28577 |
| PolarSurfaceArea | 101.01 |
| Druglikeness | 5.0419 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]oxolane-2-carboxamide | 2 - N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]oxolane-2-carboxamide
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