ethyl 5-[5-amino-3-(4-bromophenyl)-1H-pyrazole-1-sulfonyl]-3-methyl-1-benzofuran-2-carboxylate
Chemical Structure Depiction of
ethyl 5-[5-amino-3-(4-bromophenyl)-1H-pyrazole-1-sulfonyl]-3-methyl-1-benzofuran-2-carboxylate
ethyl 5-[5-amino-3-(4-bromophenyl)-1H-pyrazole-1-sulfonyl]-3-methyl-1-benzofuran-2-carboxylate
Compound characteristics
| Compound ID: | C614-0288 |
| Compound Name: | ethyl 5-[5-amino-3-(4-bromophenyl)-1H-pyrazole-1-sulfonyl]-3-methyl-1-benzofuran-2-carboxylate |
| Molecular Weight: | 504.36 |
| Molecular Formula: | C21 H18 Br N3 O5 S |
| Smiles: | CCOC(c1c(C)c2cc(ccc2o1)S(n1c(cc(c2ccc(cc2)[Br])n1)N)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0925 |
| logD: | 5.0925 |
| logSw: | -5.041 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.475 |
| InChI Key: | RGKQFJOWYFXMBY-UHFFFAOYSA-N |