(5Z)-3-benzyl-2-benzylimino-5-[(1-benzylindol-3-yl)methylidene]-1,3-thiazolidin-4-one
Formula:C33H27N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-benzyl-2-benzylimino-5-[(1-benzylindol-3-yl)methylidene]-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-3-benzyl-2-benzylimino-5-[(1-benzylindol-3-yl)methylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C33H27N3OS |
| Smiles | O=C(/C(/S1)=C/c2cn(Cc3ccccc3)c3c2cccc3)N(Cc2ccccc2)/C1=N/Cc1ccccc1 |
| InChI | InChI=1S/C33H27N3OS/c37-32-31(20-28-24-35(22-26-14-6-2-7-15-26)30-19-11-10-18-29(28)30)38-33(34-21-25-12-4-1-5-13-25)36(32)23-27-16-8-3-9-17-27/h1-20,24H,21-23H2 |
| InChIK | IOEJCDCLYXAKSH-UHFFFAOYSA-N |
| TotalMolweight | 513.663 |
| Molweight | 513.663 |
| MonoisotopicMass | 513.187482 |
| CLogP | 6.2346 |
| CLogS | -6.467 |
| H Acceptors | 4 |
| TotalSurfaceArea | 397.34 |
| Relative PSA | 0.13203 |
| PolarSurfaceArea | 62.9 |
| Druglikeness | 4.9589 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47368 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5Z)-3-benzyl-2-benzylimino-5-[(1-benzylindol-3-yl)methylidene]-1,3-thiazolidin-4-one | 2 - (5Z)-3-benzyl-2-benzylimino-5-[(1-benzylindol-3-yl)methylidene]-1,3-thiazolidin-4-one
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