(5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C18H13NO3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C18H13NO3S2 |
| Smiles | O=C(/C(/S1)=C/c2ccccc2)N(Cc(cc2)cc3c2OCO3)C1=S |
| InChI | InChI=1S/C18H13NO3S2/c20-17-16(9-12-4-2-1-3-5-12)24-18(23)19(17)10-13-6-7-14-15(8-13)22-11-21-14/h1-9H,10-11H2 |
| InChIK | BONYNVDAABCCEK-UHFFFAOYSA-N |
| TotalMolweight | 355.437 |
| Molweight | 355.437 |
| MonoisotopicMass | 355.033684 |
| CLogP | 2.9266 |
| CLogS | -5.172 |
| H Acceptors | 4 |
| TotalSurfaceArea | 256.5 |
| Relative PSA | 0.32 |
| PolarSurfaceArea | 96.16 |
| Druglikeness | 3.9014 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
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