(5Z)-3-benzyl-5-[[4-(3-phenoxypropoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C26H23NO3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-benzyl-5-[[4-(3-phenoxypropoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-benzyl-5-[[4-(3-phenoxypropoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C26H23NO3S2 |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2OCCCOc2ccccc2)N(Cc2ccccc2)C1=S |
| InChI | InChI=1S/C26H23NO3S2/c28-25-24(32-26(31)27(25)19-21-8-3-1-4-9-21)18-20-12-14-23(15-13-20)30-17-7-16-29-22-10-5-2-6-11-22/h1-6,8-15,18H,7,16-17,19H2 |
| InChIK | AAAZUDMRBMIDOO-UHFFFAOYSA-N |
| TotalMolweight | 461.605 |
| Molweight | 461.605 |
| MonoisotopicMass | 461.111934 |
| CLogP | 4.6246 |
| CLogS | -5.999 |
| H Acceptors | 4 |
| TotalSurfaceArea | 357.28 |
| Relative PSA | 0.22974 |
| PolarSurfaceArea | 96.16 |
| Druglikeness | 3.5452 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-benzyl-5-[[4-(3-phenoxypropoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-benzyl-5-[[4-(3-phenoxypropoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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