ethyl 3-methyl-5-[2-(3-methylphenyl)azepane-1-sulfonyl]-1-benzofuran-2-carboxylate
Chemical Structure Depiction of
ethyl 3-methyl-5-[2-(3-methylphenyl)azepane-1-sulfonyl]-1-benzofuran-2-carboxylate
ethyl 3-methyl-5-[2-(3-methylphenyl)azepane-1-sulfonyl]-1-benzofuran-2-carboxylate
Compound characteristics
Compound ID: | J005-0974 |
Compound Name: | ethyl 3-methyl-5-[2-(3-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(N1CCCCCC1c1cccc(C)c1)(=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.2094 |
logD: | 6.2094 |
logSw: | -5.4078 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 61.759 |
InChI Key: | OEELEILUBYRGBS-QFIPXVFZSA-N |