(5Z)-3-prop-2-enyl-5-[[4-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C24H23NO3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-prop-2-enyl-5-[[4-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-prop-2-enyl-5-[[4-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C24H23NO3S2 |
| Smiles | C=CCc(cccc1)c1OCCOc1ccc(/C=C(/C(N2CC=C)=O)\SC2=S)cc1 |
| InChI | InChI=1S/C24H23NO3S2/c1-3-7-19-8-5-6-9-21(19)28-16-15-27-20-12-10-18(11-13-20)17-22-23(26)25(14-4-2)24(29)30-22/h3-6,8-13,17H,1-2,7,14-16H2 |
| InChIK | AQKNXGWCMBJCMB-UHFFFAOYSA-N |
| TotalMolweight | 437.583 |
| Molweight | 437.583 |
| MonoisotopicMass | 437.111934 |
| CLogP | 4.4557 |
| CLogS | -5.627 |
| H Acceptors | 4 |
| TotalSurfaceArea | 346.6 |
| Relative PSA | 0.23681 |
| PolarSurfaceArea | 96.16 |
| Druglikeness | -5.7449 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-prop-2-enyl-5-[[4-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-prop-2-enyl-5-[[4-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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