(5Z)-3-(3-chlorophenyl)-5-[[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
Formula:C25H22N3O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(3-chlorophenyl)-5-[[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-(3-chlorophenyl)-5-[[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C25H22N3O3ClS |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=C(/C(N2c3cccc(Cl)c3)=O)\SC2=O)c1)N1CCCCC1 |
| InChI | InChI=1S/C25H22ClN3O3S/c26-18-7-6-8-19(14-18)29-24(31)22(33-25(29)32)13-17-15-28(21-10-3-2-9-20(17)21)16-23(30)27-11-4-1-5-12-27/h2-3,6-10,13-15H,1,4-5,11-12,16H2 |
| InChIK | QZHBOIJQCYYUDC-UHFFFAOYSA-N |
| TotalMolweight | 479.987 |
| Molweight | 479.987 |
| MonoisotopicMass | 479.107039 |
| CLogP | 4.3486 |
| CLogS | -5.622 |
| H Acceptors | 6 |
| TotalSurfaceArea | 343.85 |
| Relative PSA | 0.20526 |
| PolarSurfaceArea | 87.92 |
| Druglikeness | 3.3278 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5Z)-3-(3-chlorophenyl)-5-[[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-(3-chlorophenyl)-5-[[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
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