(5Z)-3-benzyl-5-[[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
Formula:C26H25N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-benzyl-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-benzyl-5-[[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C26H25N3O3S |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=C(/C(N2Cc3ccccc3)=O)\SC2=O)c1)N1CCCCC1 |
| InChI | InChI=1S/C26H25N3O3S/c30-24(27-13-7-2-8-14-27)18-28-17-20(21-11-5-6-12-22(21)28)15-23-25(31)29(26(32)33-23)16-19-9-3-1-4-10-19/h1,3-6,9-12,15,17H,2,7-8,13-14,16,18H2 |
| InChIK | RHHFNLVERBRVQV-UHFFFAOYSA-N |
| TotalMolweight | 459.569 |
| Molweight | 459.569 |
| MonoisotopicMass | 459.161662 |
| CLogP | 3.6655 |
| CLogS | -4.364 |
| H Acceptors | 6 |
| TotalSurfaceArea | 342.19 |
| Relative PSA | 0.20626 |
| PolarSurfaceArea | 87.92 |
| Druglikeness | 3.2943 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5Z)-3-benzyl-5-[[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-benzyl-5-[[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
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