(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
Formula:C15H14N2O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C15H14N2O3Cl2S |
| Smiles | O=C(/C(/S1)=C\c(ccc(Cl)c2)c2Cl)N(CN2CCOCC2)C1=O |
| InChI | InChI=1S/C15H14Cl2N2O3S/c16-11-2-1-10(12(17)8-11)7-13-14(20)19(15(21)23-13)9-18-3-5-22-6-4-18/h1-2,7-8H,3-6,9H2 |
| InChIK | HQLMORIWFWTHPP-UHFFFAOYSA-N |
| TotalMolweight | 373.259 |
| Molweight | 373.259 |
| MonoisotopicMass | 372.010217 |
| CLogP | 2.6425 |
| CLogS | -4.278 |
| H Acceptors | 5 |
| TotalSurfaceArea | 254.2 |
| Relative PSA | 0.23867 |
| PolarSurfaceArea | 75.15 |
| Druglikeness | 4.0185 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine; limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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 - (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione | 2 - (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
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