(5Z)-3-[(2-chlorophenyl)methyl]-5-(2H-chromen-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C20H14NO2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-[(2-chlorophenyl)methyl]-5-(2H-chromen-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-[(2-chlorophenyl)methyl]-5-(2H-chromen-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C20H14NO2ClS2 |
| Smiles | O=C(/C(/S1)=C/C2=Cc(cccc3)c3OC2)N(Cc(cccc2)c2Cl)C1=S |
| InChI | InChI=1S/C20H14ClNO2S2/c21-16-7-3-1-6-15(16)11-22-19(23)18(26-20(22)25)10-13-9-14-5-2-4-8-17(14)24-12-13/h1-10H,11-12H2 |
| InChIK | PFTRJNCEHZFABT-UHFFFAOYSA-N |
| TotalMolweight | 399.921 |
| Molweight | 399.921 |
| MonoisotopicMass | 399.015446 |
| CLogP | 3.8314 |
| CLogS | -5.497 |
| H Acceptors | 3 |
| TotalSurfaceArea | 286.63 |
| Relative PSA | 0.25147 |
| PolarSurfaceArea | 86.93 |
| Druglikeness | 3.9887 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-[(2-chlorophenyl)methyl]-5-(2H-chromen-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-[(2-chlorophenyl)methyl]-5-(2H-chromen-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
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