(5Z)-3-benzyl-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C23H16NOClS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-benzyl-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-3-benzyl-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C23H16NOClS3 |
| Smiles | O=C(/C(/S1)=C/c(cccc2)c2Sc(cc2)ccc2Cl)N(Cc2ccccc2)C1=S |
| InChI | InChI=1S/C23H16ClNOS3/c24-18-10-12-19(13-11-18)28-20-9-5-4-8-17(20)14-21-22(26)25(23(27)29-21)15-16-6-2-1-3-7-16/h1-14H,15H2 |
| InChIK | CRXVROHFUKJZHJ-UHFFFAOYSA-N |
| TotalMolweight | 454.037 |
| Molweight | 454.037 |
| MonoisotopicMass | 453.008251 |
| CLogP | 5.2423 |
| CLogS | -6.983 |
| H Acceptors | 2 |
| TotalSurfaceArea | 328.91 |
| Relative PSA | 0.24192 |
| PolarSurfaceArea | 103 |
| Druglikeness | 4.005 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-3-benzyl-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-benzyl-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off