2-bromo-4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-6-methoxyphenyl 4-methyl-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-methoxyphenyl 4-methyl-1-benzenesulfonate
2-bromo-4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-6-methoxyphenyl 4-methyl-1-benzenesulfonate
Compound characteristics
| Compound ID: | 4384-0161 |
| Compound Name: | 2-bromo-4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-6-methoxyphenyl 4-methyl-1-benzenesulfonate |
| Molecular Weight: | 610.5 |
| Molecular Formula: | C27 H20 Br N3 O5 S2 |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)Oc1c(cc(/C=C(/C#N)C(Nc2nc(cs2)c2ccccc2)=O)cc1[Br])OC |
| Stereo: | ACHIRAL |
| logP: | 6.88 |
| logD: | 6.87 |
| logSw: | -7.66 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 182.16 |
| InChI Key: | YBODLEGEJCSKAD-UHFFFAOYSA-N |