(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C18H14NO4BrS3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C18H14NO4BrS3 |
| Smiles | O=C(/C(/S1)=C\c2ccc(-c(cc3)ccc3Br)o2)N(C(CC2)CS2(=O)=O)C1=S |
| InChI | InChI=1S/C18H14BrNO4S3/c19-12-3-1-11(2-4-12)15-6-5-14(24-15)9-16-17(21)20(18(25)26-16)13-7-8-27(22,23)10-13/h1-6,9,13H,7-8,10H2/t13-/m0/s1 |
| InChIK | AZSOBCMLCXWUEG-ZDUSSCGKSA-N |
| TotalMolweight | 484.414 |
| Molweight | 484.414 |
| MonoisotopicMass | 482.92683 |
| CLogP | 2.4249 |
| CLogS | -5.976 |
| H Acceptors | 5 |
| TotalSurfaceArea | 299.66 |
| Relative PSA | 0.34963 |
| PolarSurfaceArea | 133.36 |
| Druglikeness | -0.30422 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
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