methyl 4-({2-[cyano(4-methylbenzene-1-sulfonyl)methylidene]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({2-[cyano(4-methylbenzene-1-sulfonyl)methylidene]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene}methyl)benzoate
methyl 4-({2-[cyano(4-methylbenzene-1-sulfonyl)methylidene]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene}methyl)benzoate
Compound characteristics
| Compound ID: | Y020-7275 |
| Compound Name: | methyl 4-({2-[cyano(4-methylbenzene-1-sulfonyl)methylidene]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene}methyl)benzoate |
| Molecular Weight: | 480.56 |
| Molecular Formula: | C24 H20 N2 O5 S2 |
| Smiles: | Cc1ccc(cc1)S(C(\C#N)=C1/N(CC=C)C(/C(=C/c2ccc(cc2)C(=O)OC)S1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6343 |
| logD: | 4.6343 |
| logSw: | -4.3919 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.14 |
| InChI Key: | ZRIOHQCSVCBHLC-UHFFFAOYSA-N |