(5Z)-3-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylimino)-5-(1,3-benzodioxol-5-ylmethylidene)-1,3-thiazolidin-4-one
Formula:C25H16N2O7S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-3-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylimino)-5-(1,3-benzodioxol-5-ylmethylidene)-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-3-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylimino)-5-(1,3-benzodioxol-5-ylmethylidene)-1,3-thiazolidin-4-one |
| MolecularFormula | C25H16N2O7S |
| Smiles | O=C(/C(/S/C1=N\c(cc2)cc3c2OCO3)=C/c(cc2)cc3c2OCO3)N1c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C25H16N2O7S/c28-24-23(8-14-1-4-17-20(7-14)32-11-29-17)35-25(26-15-2-5-18-21(9-15)33-12-30-18)27(24)16-3-6-19-22(10-16)34-13-31-19/h1-10H,11-13H2 |
| InChIK | MYERXKDNRJLWDK-UHFFFAOYSA-N |
| TotalMolweight | 488.475 |
| Molweight | 488.475 |
| MonoisotopicMass | 488.067823 |
| CLogP | 5.0122 |
| CLogS | -7.983 |
| H Acceptors | 9 |
| TotalSurfaceArea | 333.28 |
| Relative PSA | 0.31682 |
| PolarSurfaceArea | 113.35 |
| Druglikeness | 3.2894 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 3 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-3-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylimino)-5-(1,3-benzodioxol-5-ylmethylidene)-1,3-thiazolidin-4-one | 2 - (5Z)-3-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylimino)-5-(1,3-benzodioxol-5-ylmethylidene)-1,3-thiazolidin-4-one
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