(5E)-5-[(2-chlorophenyl)methylidene]-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C24H24N3O2ClS2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(5E)-5-[(2-chlorophenyl)methylidene]-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(2-chlorophenyl)methylidene]-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C24H24N3O2ClS2 |
| Smiles | O=C(CCCN(C(/C(/S1)=C\c(cccc2)c2Cl)=O)C1=S)N(CC1)CCN1c1ccccc1 |
| InChI | InChI=1S/C24H24ClN3O2S2/c25-20-10-5-4-7-18(20)17-21-23(30)28(24(31)32-21)12-6-11-22(29)27-15-13-26(14-16-27)19-8-2-1-3-9-19/h1-5,7-10,17H,6,11-16H2 |
| InChIK | FZAYLQHTEKMBDC-UHFFFAOYSA-N |
| TotalMolweight | 486.059 |
| Molweight | 486.059 |
| MonoisotopicMass | 485.099844 |
| CLogP | 3.8357 |
| CLogS | -5.233 |
| H Acceptors | 5 |
| TotalSurfaceArea | 359.07 |
| Relative PSA | 0.22898 |
| PolarSurfaceArea | 101.25 |
| Druglikeness | 6.7015 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-5-[(2-chlorophenyl)methylidene]-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[(2-chlorophenyl)methylidene]-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off