(5Z)-5-[(1-benzylindol-3-yl)methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one
Formula:C31H29N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(1-benzylindol-3-yl)methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[(1-benzylindol-3-yl)methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C31H29N3OS |
| Smiles | O=C(/C(/S1)=C/c2cn(Cc3ccccc3)c3c2cccc3)N(C2CCCCC2)/C1=N/c1ccccc1 |
| InChI | InChI=1S/C31H29N3OS/c35-30-29(36-31(32-25-14-6-2-7-15-25)34(30)26-16-8-3-9-17-26)20-24-22-33(21-23-12-4-1-5-13-23)28-19-11-10-18-27(24)28/h1-2,4-7,10-15,18-20,22,26H,3,8-9,16-17,21H2 |
| InChIK | HZCNYLAPRYVUHA-UHFFFAOYSA-N |
| TotalMolweight | 491.657 |
| Molweight | 491.657 |
| MonoisotopicMass | 491.203132 |
| CLogP | 6.2682 |
| CLogS | -6.557 |
| H Acceptors | 4 |
| TotalSurfaceArea | 377.86 |
| Relative PSA | 0.13883 |
| PolarSurfaceArea | 62.9 |
| Druglikeness | -0.685 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-[(1-benzylindol-3-yl)methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(1-benzylindol-3-yl)methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one
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