(5Z)-5-[(3-nitro-4-phenylmethoxyphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
Formula:C24H23N3O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(3-nitro-4-phenylmethoxyphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[(3-nitro-4-phenylmethoxyphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C24H23N3O6S |
| Smiles | [O-][N+](c(cc(/C=C(/C(N1CC(N2CCCCC2)=O)=O)\SC1=O)cc1)c1OCc1ccccc1)=O |
| InChI | InChI=1S/C24H23N3O6S/c28-22(25-11-5-2-6-12-25)15-26-23(29)21(34-24(26)30)14-18-9-10-20(19(13-18)27(31)32)33-16-17-7-3-1-4-8-17/h1,3-4,7-10,13-14H,2,5-6,11-12,15-16H2 |
| InChIK | ODVNKEAFXDOHOH-UHFFFAOYSA-N |
| TotalMolweight | 481.528 |
| Molweight | 481.528 |
| MonoisotopicMass | 481.130757 |
| CLogP | 2.652 |
| CLogS | -4.949 |
| H Acceptors | 9 |
| TotalSurfaceArea | 352.06 |
| Relative PSA | 0.29577 |
| PolarSurfaceArea | 138.04 |
| Druglikeness | -2.1259 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-5-[(3-nitro-4-phenylmethoxyphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[(3-nitro-4-phenylmethoxyphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
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