ethyl 3-methyl-5-[2-(4-methylphenyl)azepane-1-sulfonyl]-1-benzofuran-2-carboxylate
Chemical Structure Depiction of
ethyl 3-methyl-5-[2-(4-methylphenyl)azepane-1-sulfonyl]-1-benzofuran-2-carboxylate
ethyl 3-methyl-5-[2-(4-methylphenyl)azepane-1-sulfonyl]-1-benzofuran-2-carboxylate
Compound characteristics
| Compound ID: | J005-0973 |
| Compound Name: | ethyl 3-methyl-5-[2-(4-methylphenyl)azepane-1-sulfonyl]-1-benzofuran-2-carboxylate |
| Molecular Weight: | 455.57 |
| Molecular Formula: | C25 H29 N O5 S |
| Smiles: | CCOC(c1c(C)c2cc(ccc2o1)S(N1CCCCCC1c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0932 |
| logD: | 6.0932 |
| logSw: | -5.4083 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.759 |
| InChI Key: | ZVHXDAVCHIAIPC-QFIPXVFZSA-N |