(5Z)-5-[(3-chlorophenyl)methylidene]-3-(piperidin-1-ylmethyl)-1,3-thiazolidine-2,4-dione
Formula:C16H17N2O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(3-chlorophenyl)methylidene]-3-(piperidin-1-ylmethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[(3-chlorophenyl)methylidene]-3-(piperidin-1-ylmethyl)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C16H17N2O2ClS |
| Smiles | O=C(/C(/S1)=C/c2cccc(Cl)c2)N(CN2CCCCC2)C1=O |
| InChI | InChI=1S/C16H17ClN2O2S/c17-13-6-4-5-12(9-13)10-14-15(20)19(16(21)22-14)11-18-7-2-1-3-8-18/h4-6,9-10H,1-3,7-8,11H2 |
| InChIK | LKVBVFWPOJMITA-UHFFFAOYSA-N |
| TotalMolweight | 336.842 |
| Molweight | 336.842 |
| MonoisotopicMass | 336.069925 |
| CLogP | 3.2005 |
| CLogS | -4.431 |
| H Acceptors | 4 |
| TotalSurfaceArea | 242.54 |
| Relative PSA | 0.20891 |
| PolarSurfaceArea | 65.92 |
| Druglikeness | 3.1933 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine; limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-[(3-chlorophenyl)methylidene]-3-(piperidin-1-ylmethyl)-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[(3-chlorophenyl)methylidene]-3-(piperidin-1-ylmethyl)-1,3-thiazolidine-2,4-dione
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