rel-(8aR,12aS)-1-(3-methoxypropanoyl)dodecahydro-1,7-benzodiazecin-8(1H)-one
Chemical Structure Depiction of
rel-(8aR,12aS)-1-(3-methoxypropanoyl)dodecahydro-1,7-benzodiazecin-8(1H)-one
rel-(8aR,12aS)-1-(3-methoxypropanoyl)dodecahydro-1,7-benzodiazecin-8(1H)-one
Compound characteristics
| Compound ID: | S780-0040 |
| Compound Name: | rel-(8aR,12aS)-1-(3-methoxypropanoyl)dodecahydro-1,7-benzodiazecin-8(1H)-one |
| Molecular Weight: | 296.41 |
| Molecular Formula: | C16 H28 N2 O3 |
| Smiles: | COCCC(N1CCCCCNC([C@@H]2CCCC[C@H]12)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8362 |
| logD: | 0.8362 |
| logSw: | -1.6769 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.595 |
| InChI Key: | SXLWJFUFCJSKGQ-KGLIPLIRSA-N |