4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-2-methoxyphenyl 1-benzenesulfonate
Chemical Structure Depiction of
4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-2-methoxyphenyl 1-benzenesulfonate
4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-2-methoxyphenyl 1-benzenesulfonate
Compound characteristics
| Compound ID: | 4384-0309 |
| Compound Name: | 4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-2-methoxyphenyl 1-benzenesulfonate |
| Molecular Weight: | 517.58 |
| Molecular Formula: | C26 H19 N3 O5 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nc(cs2)c2ccccc2)=O)ccc1OS(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.51 |
| logD: | 5.5 |
| logSw: | -6.45 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 189.87 |
| InChI Key: | XUTXNIICYZSYSS-UHFFFAOYSA-N |