rel-(8aR,12aS)-1-(6-methylpyridine-3-carbonyl)dodecahydro-1,7-benzodiazecin-8(1H)-one
Chemical Structure Depiction of
rel-(8aR,12aS)-1-(6-methylpyridine-3-carbonyl)dodecahydro-1,7-benzodiazecin-8(1H)-one
rel-(8aR,12aS)-1-(6-methylpyridine-3-carbonyl)dodecahydro-1,7-benzodiazecin-8(1H)-one
Compound characteristics
| Compound ID: | S780-0043 |
| Compound Name: | rel-(8aR,12aS)-1-(6-methylpyridine-3-carbonyl)dodecahydro-1,7-benzodiazecin-8(1H)-one |
| Molecular Weight: | 329.44 |
| Molecular Formula: | C19 H27 N3 O2 |
| Smiles: | Cc1ccc(cn1)C(N1CCCCCNC([C@@H]2CCCC[C@H]12)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7789 |
| logD: | 1.7788 |
| logSw: | -2.4337 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.452 |
| InChI Key: | CENIJCZABDTULB-SJORKVTESA-N |