5-[(Z)-2-bromo-3-phenylprop-2-enylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C18H18NOBrS2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
5-[(Z)-2-bromo-3-phenylprop-2-enylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | 5-[(Z)-2-bromo-3-phenylprop-2-enylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C18H18NOBrS2 |
| Smiles | O=C(C(S1)=C/C(/Br)=C/c2ccccc2)N(C2CCCCC2)C1=S |
| InChI | InChI=1S/C18H18BrNOS2/c19-14(11-13-7-3-1-4-8-13)12-16-17(21)20(18(22)23-16)15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10H2 |
| InChIK | GLEWVMIFFMPJOX-UHFFFAOYSA-N |
| TotalMolweight | 408.383 |
| Molweight | 408.383 |
| MonoisotopicMass | 407.001315 |
| CLogP | 4.202 |
| CLogS | -5.857 |
| H Acceptors | 2 |
| TotalSurfaceArea | 273.86 |
| Relative PSA | 0.22669 |
| PolarSurfaceArea | 77.7 |
| Druglikeness | -7.491 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 5-[(Z)-2-bromo-3-phenylprop-2-enylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - 5-[(Z)-2-bromo-3-phenylprop-2-enylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
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