(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-chlorobenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C18H10NO4ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-chlorobenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-chlorobenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C18H10NO4ClS2 |
| Smiles | O=C(c(cc1)ccc1Cl)N(C(/C(/S1)=C\c(cc2)cc3c2OCO3)=O)C1=S |
| InChI | InChI=1S/C18H10ClNO4S2/c19-12-4-2-11(3-5-12)16(21)20-17(22)15(26-18(20)25)8-10-1-6-13-14(7-10)24-9-23-13/h1-8H,9H2 |
| InChIK | ISLRKPMDVQJVHV-UHFFFAOYSA-N |
| TotalMolweight | 403.865 |
| Molweight | 403.865 |
| MonoisotopicMass | 402.973976 |
| CLogP | 3.615 |
| CLogS | -6.037 |
| H Acceptors | 5 |
| TotalSurfaceArea | 275.91 |
| Relative PSA | 0.34475 |
| PolarSurfaceArea | 113.23 |
| Druglikeness | 2.8022 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-chlorobenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-chlorobenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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