(5Z)-5-[(3-bromophenyl)methylidene]-3-[(3-fluoroanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H12N2OBrFS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(3-bromophenyl)methylidene]-3-[(3-fluoroanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(3-bromophenyl)methylidene]-3-[(3-fluoroanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H12N2OBrFS2 |
| Smiles | O=C(/C(/S1)=C/c2cccc(Br)c2)N(CNc2cc(F)ccc2)C1=S |
| InChI | InChI=1S/C17H12BrFN2OS2/c18-12-4-1-3-11(7-12)8-15-16(22)21(17(23)24-15)10-20-14-6-2-5-13(19)9-14/h1-9,20H,10H2 |
| InChIK | VTLPOCDDNUEKKP-UHFFFAOYSA-N |
| TotalMolweight | 423.329 |
| Molweight | 423.329 |
| MonoisotopicMass | 421.955842 |
| CLogP | 3.3845 |
| CLogS | -6.107 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 272.68 |
| Relative PSA | 0.26969 |
| PolarSurfaceArea | 89.73 |
| Druglikeness | 0.19773 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[(3-bromophenyl)methylidene]-3-[(3-fluoroanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(3-bromophenyl)methylidene]-3-[(3-fluoroanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
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