(5Z)-3-benzyl-5-[[4-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C25H21NO3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-benzyl-5-[[4-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-benzyl-5-[[4-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C25H21NO3S2 |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2OCCOc2ccccc2)N(Cc2ccccc2)C1=S |
| InChI | InChI=1S/C25H21NO3S2/c27-24-23(31-25(30)26(24)18-20-7-3-1-4-8-20)17-19-11-13-22(14-12-19)29-16-15-28-21-9-5-2-6-10-21/h1-14,17H,15-16,18H2 |
| InChIK | YCMKNCZTXTUJCG-UHFFFAOYSA-N |
| TotalMolweight | 447.578 |
| Molweight | 447.578 |
| MonoisotopicMass | 447.096284 |
| CLogP | 4.1702 |
| CLogS | -5.729 |
| H Acceptors | 4 |
| TotalSurfaceArea | 343.52 |
| Relative PSA | 0.23894 |
| PolarSurfaceArea | 96.16 |
| Druglikeness | -3.12 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-benzyl-5-[[4-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-benzyl-5-[[4-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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