| MolName | (5Z)-5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C31H22N3OClS |
| Smiles | O=C(/C(/S/C1=N\c2ccccc2)=C/c2cn(Cc(cc3)ccc3Cl)c3c2cccc3)N1c1ccccc1 |
| InChI | InChI=1S/C31H22ClN3OS/c32-24-17-15-22(16-18-24)20-34-21-23(27-13-7-8-14-28(27)34)19-29-30(36)35(26-11-5-2-6-12-26)31(37-29)33-25-9-3-1-4-10-25/h1-19,21H,20H2 |
| InChIK | NJKPQWOQZGWRRM-UHFFFAOYSA-N |
| TotalMolweight | 520.055 |
| Molweight | 520.055 |
| MonoisotopicMass | 519.117209 |
| CLogP | 6.8137 |
| CLogS | -7.564 |
| H Acceptors | 4 |
| TotalSurfaceArea | 385.24 |
| Relative PSA | 0.13617 |
| PolarSurfaceArea | 62.9 |
| Druglikeness | 4.5275 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48649 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one