(5Z)-5-[[3,4-bis(phenylmethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C24H19NO3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[3,4-bis(phenylmethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[[3,4-bis(phenylmethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C24H19NO3S2 |
| Smiles | O=C(/C(/S1)=C/c(cc2)cc(OCc3ccccc3)c2OCc2ccccc2)NC1=S |
| InChI | InChI=1S/C24H19NO3S2/c26-23-22(30-24(29)25-23)14-19-11-12-20(27-15-17-7-3-1-4-8-17)21(13-19)28-16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,25,26,29) |
| InChIK | YVKUMFSZMLLNJL-UHFFFAOYSA-N |
| TotalMolweight | 433.551 |
| Molweight | 433.551 |
| MonoisotopicMass | 433.080634 |
| CLogP | 3.8404 |
| CLogS | -6.182 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 330.92 |
| Relative PSA | 0.27194 |
| PolarSurfaceArea | 104.95 |
| Druglikeness | 2.172 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[[3,4-bis(phenylmethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[3,4-bis(phenylmethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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