(5E)-5-[(3-bromophenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
Formula:C15H15N2O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(3-bromophenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[(3-bromophenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C15H15N2O3BrS |
| Smiles | O=C(/C(/S1)=C\c2cccc(Br)c2)N(CN2CCOCC2)C1=O |
| InChI | InChI=1S/C15H15BrN2O3S/c16-12-3-1-2-11(8-12)9-13-14(19)18(15(20)22-13)10-17-4-6-21-7-5-17/h1-3,8-9H,4-7,10H2 |
| InChIK | OMYQMXMKXLQASD-UHFFFAOYSA-N |
| TotalMolweight | 383.265 |
| Molweight | 383.265 |
| MonoisotopicMass | 381.998674 |
| CLogP | 2.1557 |
| CLogS | -3.64 |
| H Acceptors | 5 |
| TotalSurfaceArea | 241.99 |
| Relative PSA | 0.25071 |
| PolarSurfaceArea | 75.15 |
| Druglikeness | 2.1868 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| 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-[(3-bromophenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione | 2 - (5E)-5-[(3-bromophenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
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