3-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 2-iodobenzoate
Chemical Structure Depiction of
3-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 2-iodobenzoate
3-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 2-iodobenzoate
Compound characteristics
| Compound ID: | 2151-0739 |
| Compound Name: | 3-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 2-iodobenzoate |
| Molecular Weight: | 481.33 |
| Molecular Formula: | C18 H12 I N O3 S2 |
| Smiles: | CN1C(/C(=C/c2cccc(c2)OC(c2ccccc2I)=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0978 |
| logD: | 4.0978 |
| logSw: | -4.4045 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 36.857 |
| InChI Key: | NUFJFMHZVVPEJJ-UHFFFAOYSA-N |