(5Z)-5-[[5-bromo-2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C24H22NO3BrS2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[5-bromo-2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[[5-bromo-2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C24H22NO3BrS2 |
| Smiles | C=CCc(cccc1)c1OCCOc(cc1)c(/C=C(/C(N2CC=C)=O)\SC2=S)cc1Br |
| InChI | InChI=1S/C24H22BrNO3S2/c1-3-7-17-8-5-6-9-20(17)28-13-14-29-21-11-10-19(25)15-18(21)16-22-23(27)26(12-4-2)24(30)31-22/h3-6,8-11,15-16H,1-2,7,12-14H2 |
| InChIK | FMVXFODOVUATRC-UHFFFAOYSA-N |
| TotalMolweight | 516.479 |
| Molweight | 516.479 |
| MonoisotopicMass | 515.022445 |
| CLogP | 5.1809 |
| CLogS | -6.461 |
| H Acceptors | 4 |
| TotalSurfaceArea | 365.23 |
| Relative PSA | 0.22474 |
| PolarSurfaceArea | 96.16 |
| Druglikeness | -7.5349 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[[5-bromo-2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[5-bromo-2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
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