(5Z)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C19H15NO3Cl2S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(5Z)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C19H15NO3Cl2S2 |
| Smiles | O=C(/C(/S1)=C/c2ccc(-c(cc(cc3)Cl)c3Cl)o2)N(CC2OCCC2)C1=S |
| InChI | InChI=1S/C19H15Cl2NO3S2/c20-11-3-5-15(21)14(8-11)16-6-4-12(25-16)9-17-18(23)22(19(26)27-17)10-13-2-1-7-24-13/h3-6,8-9,13H,1-2,7,10H2/t13-/m1/s1 |
| InChIK | NVNXJRIIIGQALF-CYBMUJFWSA-N |
| TotalMolweight | 440.37 |
| Molweight | 440.37 |
| MonoisotopicMass | 438.987038 |
| CLogP | 3.8478 |
| CLogS | -6.755 |
| H Acceptors | 4 |
| TotalSurfaceArea | 307.05 |
| Relative PSA | 0.2807 |
| PolarSurfaceArea | 100.07 |
| Druglikeness | 3.6167 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (5Z)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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