(5Z)-3-cyclohexyl-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C22H21NOS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-cyclohexyl-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-cyclohexyl-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C22H21NOS2 |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2-c2ccccc2)N(C2CCCCC2)C1=S |
| InChI | InChI=1S/C22H21NOS2/c24-21-20(26-22(25)23(21)19-9-5-2-6-10-19)15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1,3-4,7-8,11-15,19H,2,5-6,9-10H2 |
| InChIK | XTGKYBKHIDEJRL-UHFFFAOYSA-N |
| TotalMolweight | 379.547 |
| Molweight | 379.547 |
| MonoisotopicMass | 379.106454 |
| CLogP | 4.612 |
| CLogS | -6.798 |
| H Acceptors | 2 |
| TotalSurfaceArea | 290.28 |
| Relative PSA | 0.21386 |
| PolarSurfaceArea | 77.7 |
| Druglikeness | -2.121 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-cyclohexyl-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-cyclohexyl-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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