(5Z)-5-[(4-bromophenyl)methylidene]-3-[(Z)-(4-bromophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H10N2OBr2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(4-bromophenyl)methylidene]-3-[(Z)-(4-bromophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(4-bromophenyl)methylidene]-3-[(Z)-(4-bromophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H10N2OBr2S2 |
| Smiles | O=C(/C(/SC1=S)=C/c(cc2)ccc2Br)N1/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C17H10Br2N2OS2/c18-13-5-1-11(2-6-13)9-15-16(22)21(17(23)24-15)20-10-12-3-7-14(19)8-4-12/h1-10H |
| InChIK | PBNDRBQSEFEHCD-UHFFFAOYSA-N |
| TotalMolweight | 482.219 |
| Molweight | 482.219 |
| MonoisotopicMass | 479.860125 |
| CLogP | 4.5056 |
| CLogS | -6.763 |
| H Acceptors | 3 |
| TotalSurfaceArea | 284.5 |
| Relative PSA | 0.25866 |
| PolarSurfaceArea | 90.06 |
| Druglikeness | 3.038 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (5Z)-5-[(4-bromophenyl)methylidene]-3-[(Z)-(4-bromophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(4-bromophenyl)methylidene]-3-[(Z)-(4-bromophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
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