ethyl 3-methyl-5-{4-[(pyrrolidin-1-yl)methyl]azepane-1-sulfonyl}-1-benzofuran-2-carboxylate
Chemical Structure Depiction of
ethyl 3-methyl-5-{4-[(pyrrolidin-1-yl)methyl]azepane-1-sulfonyl}-1-benzofuran-2-carboxylate
ethyl 3-methyl-5-{4-[(pyrrolidin-1-yl)methyl]azepane-1-sulfonyl}-1-benzofuran-2-carboxylate
Compound characteristics
| Compound ID: | S535-0229 |
| Compound Name: | ethyl 3-methyl-5-{4-[(pyrrolidin-1-yl)methyl]azepane-1-sulfonyl}-1-benzofuran-2-carboxylate |
| Molecular Weight: | 448.58 |
| Molecular Formula: | C23 H32 N2 O5 S |
| Smiles: | CCOC(c1c(C)c2cc(ccc2o1)S(N1CCCC(CC1)CN1CCCC1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.042 |
| logD: | 1.2017 |
| logSw: | -3.9748 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.659 |
| InChI Key: | YVNLROUOVSUQMF-GOSISDBHSA-N |