(5Z)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one
Formula:C26H29N2OClS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C26H29N2OClS3 |
| Smiles | O=C(/C(/S1)=C/c2ccc(Sc(cc3)ccc3Cl)s2)N(C2CCCCC2)/C1=N/C1CCCCC1 |
| InChI | InChI=1S/C26H29ClN2OS3/c27-18-11-13-21(14-12-18)31-24-16-15-22(32-24)17-23-25(30)29(20-9-5-2-6-10-20)26(33-23)28-19-7-3-1-4-8-19/h11-17,19-20H,1-10H2 |
| InChIK | TVHAJKUTGKKNSM-UHFFFAOYSA-N |
| TotalMolweight | 517.18 |
| Molweight | 517.18 |
| MonoisotopicMass | 516.11305 |
| CLogP | 7.4785 |
| CLogS | -8.54 |
| H Acceptors | 3 |
| TotalSurfaceArea | 377.19 |
| Relative PSA | 0.22121 |
| PolarSurfaceArea | 111.51 |
| Druglikeness | -2.7917 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 14 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one
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