(5Z)-5-[(3-bromophenyl)methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C16H16NOBrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(3-bromophenyl)methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(3-bromophenyl)methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C16H16NOBrS2 |
| Smiles | O=C(/C(/S1)=C/c2cccc(Br)c2)N(C2CCCCC2)C1=S |
| InChI | InChI=1S/C16H16BrNOS2/c17-12-6-4-5-11(9-12)10-14-15(19)18(16(20)21-14)13-7-2-1-3-8-13/h4-6,9-10,13H,1-3,7-8H2 |
| InChIK | AXQXRJXXKAXHES-UHFFFAOYSA-N |
| TotalMolweight | 382.345 |
| Molweight | 382.345 |
| MonoisotopicMass | 380.985665 |
| CLogP | 3.678 |
| CLogS | -5.546 |
| H Acceptors | 2 |
| TotalSurfaceArea | 249.15 |
| Relative PSA | 0.24917 |
| PolarSurfaceArea | 77.7 |
| Druglikeness | -3.911 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[(3-bromophenyl)methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(3-bromophenyl)methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
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