(2E,5R)-5-benzyl-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
Formula:C23H18N3OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,5R)-5-benzyl-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (2E,5R)-5-benzyl-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one |
| MolecularFormula | C23H18N3OClS |
| Smiles | O=C([C@@H](Cc1ccccc1)S/C1=N/N=C\c(cccc2)c2Cl)N1c1ccccc1 |
| InChI | InChI=1S/C23H18ClN3OS/c24-20-14-8-7-11-18(20)16-25-26-23-27(19-12-5-2-6-13-19)22(28)21(29-23)15-17-9-3-1-4-10-17/h1-14,16,21H,15H2/t21-/m0/s1 |
| InChIK | UXOQOFUGRCTRLU-NRFANRHFSA-N |
| TotalMolweight | 419.935 |
| Molweight | 419.935 |
| MonoisotopicMass | 419.085909 |
| CLogP | 7.0368 |
| CLogS | -7.061 |
| H Acceptors | 4 |
| TotalSurfaceArea | 314.23 |
| Relative PSA | 0.18171 |
| PolarSurfaceArea | 70.33 |
| Druglikeness | 6.11 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (2E,5R)-5-benzyl-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one | 2 - (2E,5R)-5-benzyl-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off