rel-(9aR,12aS)-N-(2-ethoxyphenyl)-8-methyl-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
Chemical Structure Depiction of
rel-(9aR,12aS)-N-(2-ethoxyphenyl)-8-methyl-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
rel-(9aR,12aS)-N-(2-ethoxyphenyl)-8-methyl-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
Compound characteristics
| Compound ID: | S732-0501 |
| Compound Name: | rel-(9aR,12aS)-N-(2-ethoxyphenyl)-8-methyl-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide |
| Molecular Weight: | 387.52 |
| Molecular Formula: | C22 H33 N3 O3 |
| Smiles: | CCOc1ccccc1NC(N1CCCCCCN(C)C([C@H]2CCC[C@@H]12)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2827 |
| logD: | 3.2827 |
| logSw: | -3.3934 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.54 |
| InChI Key: | RVFOJRWLIBVRBI-MJGOQNOKSA-N |