(5Z)-3-(3-bromophenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C16H10NO2BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(3-bromophenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(3-bromophenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C16H10NO2BrS2 |
| Smiles | O=C(/C(/SC1=S)=C/C=C/c2ccco2)N1c1cccc(Br)c1 |
| InChI | InChI=1S/C16H10BrNO2S2/c17-11-4-1-5-12(10-11)18-15(19)14(22-16(18)21)8-2-6-13-7-3-9-20-13/h1-10H |
| InChIK | WMXMJKYEFRLYBG-UHFFFAOYSA-N |
| TotalMolweight | 392.296 |
| Molweight | 392.296 |
| MonoisotopicMass | 390.93363 |
| CLogP | 3.4628 |
| CLogS | -5.811 |
| H Acceptors | 3 |
| TotalSurfaceArea | 257.3 |
| Relative PSA | 0.29611 |
| PolarSurfaceArea | 90.84 |
| Druglikeness | 0.95615 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| 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 - (5Z)-3-(3-bromophenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(3-bromophenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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