rel-(9aR,13aS)-N-ethyl-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
Chemical Structure Depiction of
rel-(9aR,13aS)-N-ethyl-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
rel-(9aR,13aS)-N-ethyl-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
Compound characteristics
| Compound ID: | S775-0210 |
| Compound Name: | rel-(9aR,13aS)-N-ethyl-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide |
| Molecular Weight: | 295.42 |
| Molecular Formula: | C16 H29 N3 O2 |
| Smiles: | CCNC(N1CCCCCCNC([C@@H]2CCCC[C@H]12)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8561 |
| logD: | 1.856 |
| logSw: | -2.3331 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.548 |
| InChI Key: | NNZJKWBXGAWFCY-KGLIPLIRSA-N |