ethyl 5-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]piperazine-1-sulfonyl}-3-methyl-1-benzofuran-2-carboxylate
Chemical Structure Depiction of
ethyl 5-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]piperazine-1-sulfonyl}-3-methyl-1-benzofuran-2-carboxylate
ethyl 5-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]piperazine-1-sulfonyl}-3-methyl-1-benzofuran-2-carboxylate
Compound characteristics
| Compound ID: | C301-3372 |
| Compound Name: | ethyl 5-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]piperazine-1-sulfonyl}-3-methyl-1-benzofuran-2-carboxylate |
| Molecular Weight: | 574.66 |
| Molecular Formula: | C29 H30 N6 O5 S |
| Smiles: | CCOC(c1c(C)c2cc(ccc2o1)S(N1CCN(CC1)c1c(nc2ccccc2n1)n1c(C)cc(C)n1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1847 |
| logD: | 5.1835 |
| logSw: | -5.1874 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.16 |
| InChI Key: | QTQYPQIXEXZMJS-UHFFFAOYSA-N |