rel-(9aR,13aS)-9-oxo-N-(propan-2-yl)tetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
Chemical Structure Depiction of
rel-(9aR,13aS)-9-oxo-N-(propan-2-yl)tetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
rel-(9aR,13aS)-9-oxo-N-(propan-2-yl)tetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
Compound characteristics
| Compound ID: | S775-0212 |
| Compound Name: | rel-(9aR,13aS)-9-oxo-N-(propan-2-yl)tetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide |
| Molecular Weight: | 309.45 |
| Molecular Formula: | C17 H31 N3 O2 |
| Smiles: | CC(C)NC(N1CCCCCCNC([C@@H]2CCCC[C@H]12)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3475 |
| logD: | 2.3474 |
| logSw: | -2.6268 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.897 |
| InChI Key: | ISMXHSMQGDBVGD-CABCVRRESA-N |