2-bromo-4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-6-ethoxyphenyl 4-methoxy-1-benzenesulfonate
Chemical Structure Depiction of
2-bromo-4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-6-ethoxyphenyl 4-methoxy-1-benzenesulfonate
2-bromo-4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-6-ethoxyphenyl 4-methoxy-1-benzenesulfonate
Compound characteristics
| Compound ID: | 4384-0604 |
| Compound Name: | 2-bromo-4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-6-ethoxyphenyl 4-methoxy-1-benzenesulfonate |
| Molecular Weight: | 640.53 |
| Molecular Formula: | C28 H22 Br N3 O6 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nc(cs2)c2ccccc2)=O)cc(c1OS(c1ccc(cc1)OC)(=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.72 |
| logD: | 6.71 |
| logSw: | -7.66 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 192.71 |
| InChI Key: | CHLJMJDLOZKELX-UHFFFAOYSA-N |