(5Z)-3-[(4-chlorophenyl)methyl]-5-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Formula:C20H12NO3Cl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-[(4-chlorophenyl)methyl]-5-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C20H12NO3Cl3S |
| Smiles | C#CCOc(c(Cl)cc(/C=C(/C(N1Cc(cc2)ccc2Cl)=O)\SC1=O)c1)c1Cl |
| InChI | InChI=1S/C20H12Cl3NO3S/c1-2-7-27-18-15(22)8-13(9-16(18)23)10-17-19(25)24(20(26)28-17)11-12-3-5-14(21)6-4-12/h1,3-6,8-10H,7,11H2 |
| InChIK | IOKMXJLGVTUOMZ-UHFFFAOYSA-N |
| TotalMolweight | 452.744 |
| Molweight | 452.744 |
| MonoisotopicMass | 450.960345 |
| CLogP | 4.9356 |
| CLogS | -6.96 |
| H Acceptors | 4 |
| TotalSurfaceArea | 315.11 |
| Relative PSA | 0.18127 |
| PolarSurfaceArea | 71.91 |
| Druglikeness | 4.2361 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-3-[(4-chlorophenyl)methyl]-5-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-[(4-chlorophenyl)methyl]-5-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
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