2,4-dichloro-N-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Formula:C17H10N2O3Cl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2,4-dichloro-N-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide is a drug-like molecule.
| MolName | 2,4-dichloro-N-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide |
| MolecularFormula | C17H10N2O3Cl2S2 |
| Smiles | O=C(c(ccc(Cl)c1)c1Cl)NN(C(/C(/S1)=C\C=C\c2ccco2)=O)C1=S |
| InChI | InChI=1S/C17H10Cl2N2O3S2/c18-10-6-7-12(13(19)9-10)15(22)20-21-16(23)14(26-17(21)25)5-1-3-11-4-2-8-24-11/h1-9H,(H,20,22) |
| InChIK | YKWFQGQLBDYVQO-UHFFFAOYSA-N |
| TotalMolweight | 425.315 |
| Molweight | 425.315 |
| MonoisotopicMass | 423.950987 |
| CLogP | 2.5285 |
| CLogS | -6.15 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 298.72 |
| Relative PSA | 0.33707 |
| PolarSurfaceArea | 119.94 |
| Druglikeness | 3.8823 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2,4-dichloro-N-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide | 2 - 2,4-dichloro-N-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off