(5E)-3-[(2-bromophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
Formula:C15H10NO2BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-[(2-bromophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-3-[(2-bromophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C15H10NO2BrS2 |
| Smiles | O=C(/C(/S1)=C\c2cccs2)N(Cc(cccc2)c2Br)C1=O |
| InChI | InChI=1S/C15H10BrNO2S2/c16-12-6-2-1-4-10(12)9-17-14(18)13(21-15(17)19)8-11-5-3-7-20-11/h1-8H,9H2 |
| InChIK | FYJMUEZXFSXCRC-UHFFFAOYSA-N |
| TotalMolweight | 380.285 |
| Molweight | 380.285 |
| MonoisotopicMass | 378.93363 |
| CLogP | 3.7522 |
| CLogS | -4.954 |
| H Acceptors | 3 |
| TotalSurfaceArea | 235.85 |
| Relative PSA | 0.28611 |
| PolarSurfaceArea | 90.92 |
| Druglikeness | 3.1158 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-3-[(2-bromophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione | 2 - (5E)-3-[(2-bromophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
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