4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-2-ethoxyphenyl 4-methyl-1-benzenesulfonate
Chemical Structure Depiction of
4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-2-ethoxyphenyl 4-methyl-1-benzenesulfonate
4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-2-ethoxyphenyl 4-methyl-1-benzenesulfonate
Compound characteristics
| Compound ID: | 4384-0313 |
| Compound Name: | 4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-2-ethoxyphenyl 4-methyl-1-benzenesulfonate |
| Molecular Weight: | 545.64 |
| Molecular Formula: | C28 H23 N3 O5 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nc(cs2)c2ccccc2)=O)ccc1OS(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.26 |
| logD: | 6.25 |
| logSw: | -7.07 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 185.41 |
| InChI Key: | KCIXJKYPEWVVBE-UHFFFAOYSA-N |