(5Z)-3-cyclohexyl-2-phenylimino-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
Formula:C29H28N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-cyclohexyl-2-phenylimino-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-3-cyclohexyl-2-phenylimino-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C29H28N2O2S |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2OCc2ccccc2)N(C2CCCCC2)/C1=N/c1ccccc1 |
| InChI | InChI=1S/C29H28N2O2S/c32-28-27(20-22-16-18-26(19-17-22)33-21-23-10-4-1-5-11-23)34-29(30-24-12-6-2-7-13-24)31(28)25-14-8-3-9-15-25/h1-2,4-7,10-13,16-20,25H,3,8-9,14-15,21H2 |
| InChIK | OYCOHVKNYUFVEB-UHFFFAOYSA-N |
| TotalMolweight | 468.619 |
| Molweight | 468.619 |
| MonoisotopicMass | 468.187148 |
| CLogP | 6.0866 |
| CLogS | -6.92 |
| H Acceptors | 4 |
| TotalSurfaceArea | 364.06 |
| Relative PSA | 0.15269 |
| PolarSurfaceArea | 67.2 |
| Druglikeness | -1.7567 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 9 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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