methyl 5-[N-(4-bromobenzene-1-sulfonyl)-3-phenylprop-2-enamido]-2-methyl-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
methyl 5-[N-(4-bromobenzene-1-sulfonyl)-3-phenylprop-2-enamido]-2-methyl-1-benzofuran-3-carboxylate
methyl 5-[N-(4-bromobenzene-1-sulfonyl)-3-phenylprop-2-enamido]-2-methyl-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 5591-1557 |
| Compound Name: | methyl 5-[N-(4-bromobenzene-1-sulfonyl)-3-phenylprop-2-enamido]-2-methyl-1-benzofuran-3-carboxylate |
| Molecular Weight: | 554.42 |
| Molecular Formula: | C26 H20 Br N O6 S |
| Smiles: | Cc1c(C(=O)OC)c2cc(ccc2o1)N(C(/C=C/c1ccccc1)=O)S(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8021 |
| logD: | 5.8021 |
| logSw: | -5.7025 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.14 |
| InChI Key: | XFHYRKXUGCSPJY-UHFFFAOYSA-N |