ethyl 5-[2-(3-fluorophenyl)azepane-1-sulfonyl]-3-methyl-1-benzofuran-2-carboxylate
Chemical Structure Depiction of
ethyl 5-[2-(3-fluorophenyl)azepane-1-sulfonyl]-3-methyl-1-benzofuran-2-carboxylate
ethyl 5-[2-(3-fluorophenyl)azepane-1-sulfonyl]-3-methyl-1-benzofuran-2-carboxylate
Compound characteristics
| Compound ID: | J005-0980 |
| Compound Name: | ethyl 5-[2-(3-fluorophenyl)azepane-1-sulfonyl]-3-methyl-1-benzofuran-2-carboxylate |
| Molecular Weight: | 459.54 |
| Molecular Formula: | C24 H26 F N O5 S |
| Smiles: | CCOC(c1c(C)c2cc(ccc2o1)S(N1CCCCCC1c1cccc(c1)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7573 |
| logD: | 5.7573 |
| logSw: | -5.5102 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.759 |
| InChI Key: | LHUXLBFIJVTVQD-NRFANRHFSA-N |