2-chloro-N-[(5E)-5-[(4-chlorophenyl)methylidene]-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Formula:C17H10N2O2Cl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-chloro-N-[(5E)-5-[(4-chlorophenyl)methylidene]-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]benzamide is a drug-like molecule.
| MolName | 2-chloro-N-[(5E)-5-[(4-chlorophenyl)methylidene]-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]benzamide |
| MolecularFormula | C17H10N2O2Cl2S2 |
| Smiles | O=C(c(cccc1)c1Cl)NN(C(/C(/S1)=C\c(cc2)ccc2Cl)=S)C1=O |
| InChI | InChI=1S/C17H10Cl2N2O2S2/c18-11-7-5-10(6-8-11)9-14-16(24)21(17(23)25-14)20-15(22)12-3-1-2-4-13(12)19/h1-9H,(H,20,22) |
| InChIK | SXWDELUTMUCSDM-UHFFFAOYSA-N |
| TotalMolweight | 409.316 |
| Molweight | 409.316 |
| MonoisotopicMass | 407.956072 |
| CLogP | 3.2478 |
| CLogS | -6.742 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 282.53 |
| Relative PSA | 0.30645 |
| PolarSurfaceArea | 106.8 |
| Druglikeness | 3.9292 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-chloro-N-[(5E)-5-[(4-chlorophenyl)methylidene]-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]benzamide | 2 - 2-chloro-N-[(5E)-5-[(4-chlorophenyl)methylidene]-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off