[4-[(Z)-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] (E)-3-cyclohex-3-en-1-ylprop-2-enoate
Formula:C23H23NO5S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] (E)-3-cyclohex-3-en-1-ylprop-2-enoate is a drug-like molecule.
| MolName | [4-[(Z)-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] (E)-3-cyclohex-3-en-1-ylprop-2-enoate |
| MolecularFormula | C23H23NO5S3 |
| Smiles | O=C(/C=C/C1CC=CCC1)Oc1ccc(/C=C(/C(N2C(CC3)CS3(=O)=O)=O)\SC2=S)cc1 |
| InChI | InChI=1S/C23H23NO5S3/c25-21(11-8-16-4-2-1-3-5-16)29-19-9-6-17(7-10-19)14-20-22(26)24(23(30)31-20)18-12-13-32(27,28)15-18/h1-2,6-11,14,16,18H,3-5,12-13,15H2 |
| InChIK | IMPCYPFETZEDOE-UHFFFAOYSA-N |
| TotalMolweight | 489.636 |
| Molweight | 489.636 |
| MonoisotopicMass | 489.073834 |
| CLogP | 2.4728 |
| CLogS | -5.392 |
| H Acceptors | 6 |
| TotalSurfaceArea | 352.61 |
| Relative PSA | 0.32245 |
| PolarSurfaceArea | 146.52 |
| Druglikeness | -6.1057 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 12 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - [4-[(Z)-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] (E)-3-cyclohex-3-en-1-ylprop-2-enoate | 2 - [4-[(Z)-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] (E)-3-cyclohex-3-en-1-ylprop-2-enoate
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