(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C19H16NO3ClS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C19H16NO3ClS2 |
| Smiles | O=C(/C(/S1)=C\c2ccc(-c(cccc3)c3Cl)o2)N(CC2OCCC2)C1=S |
| InChI | InChI=1S/C19H16ClNO3S2/c20-15-6-2-1-5-14(15)16-8-7-12(24-16)10-17-18(22)21(19(25)26-17)11-13-4-3-9-23-13/h1-2,5-8,10,13H,3-4,9,11H2/t13-/m1/s1 |
| InChIK | CELQNOCWABHQCF-CYBMUJFWSA-N |
| TotalMolweight | 405.925 |
| Molweight | 405.925 |
| MonoisotopicMass | 405.026011 |
| CLogP | 3.2418 |
| CLogS | -6.019 |
| H Acceptors | 4 |
| TotalSurfaceArea | 291.63 |
| Relative PSA | 0.29555 |
| PolarSurfaceArea | 100.07 |
| Druglikeness | 3.6167 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off