(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C19H12N2O5S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C19H12N2O5S2 |
| Smiles | O=C(/C(/SC1=S)=C/c(cc2)cc3c2OCO3)N1/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C19H12N2O5S2/c22-18-17(7-11-1-3-13-15(5-11)25-9-23-13)28-19(27)21(18)20-8-12-2-4-14-16(6-12)26-10-24-14/h1-8H,9-10H2 |
| InChIK | CAVAFCJGFLFZNS-UHFFFAOYSA-N |
| TotalMolweight | 412.445 |
| Molweight | 412.445 |
| MonoisotopicMass | 412.018763 |
| CLogP | 3.278 |
| CLogS | -6.517 |
| H Acceptors | 7 |
| TotalSurfaceArea | 287.76 |
| Relative PSA | 0.39474 |
| PolarSurfaceArea | 126.98 |
| Druglikeness | 4.7381 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
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