rel-(9aR,13aS)-1-(6-methylpyridine-3-carbonyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
Chemical Structure Depiction of
rel-(9aR,13aS)-1-(6-methylpyridine-3-carbonyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
rel-(9aR,13aS)-1-(6-methylpyridine-3-carbonyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
Compound characteristics
| Compound ID: | S775-0043 |
| Compound Name: | rel-(9aR,13aS)-1-(6-methylpyridine-3-carbonyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one |
| Molecular Weight: | 343.47 |
| Molecular Formula: | C20 H29 N3 O2 |
| Smiles: | Cc1ccc(cn1)C(N1CCCCCCNC([C@@H]2CCCC[C@H]12)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2749 |
| logD: | 2.2747 |
| logSw: | -2.8675 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.452 |
| InChI Key: | DUIUDZHDDHYFDR-MSOLQXFVSA-N |