ethyl 3-methyl-5-[rel-(1R,5S)-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-sulfonyl]-1-benzofuran-2-carboxylate
Chemical Structure Depiction of
ethyl 3-methyl-5-[rel-(1R,5S)-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-sulfonyl]-1-benzofuran-2-carboxylate
ethyl 3-methyl-5-[rel-(1R,5S)-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-sulfonyl]-1-benzofuran-2-carboxylate
Compound characteristics
| Compound ID: | S301-0648 |
| Compound Name: | ethyl 3-methyl-5-[rel-(1R,5S)-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-sulfonyl]-1-benzofuran-2-carboxylate |
| Molecular Weight: | 408.47 |
| Molecular Formula: | C19 H24 N2 O6 S |
| Smiles: | CCOC(c1c(C)c2cc(ccc2o1)S(N1C[C@@H]2CN(C)C[C@H](C1)O2)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0739 |
| logD: | 2.036 |
| logSw: | -2.6533 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 70.908 |
| InChI Key: | PLXKCDKDWNZHBR-KBPBESRZSA-N |