rel-(9aR,13aS)-N-(2-ethoxyphenyl)-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
Chemical Structure Depiction of
rel-(9aR,13aS)-N-(2-ethoxyphenyl)-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
rel-(9aR,13aS)-N-(2-ethoxyphenyl)-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
Compound characteristics
| Compound ID: | S775-0217 |
| Compound Name: | rel-(9aR,13aS)-N-(2-ethoxyphenyl)-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide |
| Molecular Weight: | 387.52 |
| Molecular Formula: | C22 H33 N3 O3 |
| Smiles: | CCOc1ccccc1NC(N1CCCCCCNC([C@@H]2CCCC[C@H]12)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6651 |
| logD: | 3.6651 |
| logSw: | -3.6691 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.841 |
| InChI Key: | GHOTZTUFYHRCKA-MJGOQNOKSA-N |