rel-(8aR,12aS)-decahydro-1H-4,1,7-benzoxadiazecin-8(5H)-one
Chemical Structure Depiction of
rel-(8aR,12aS)-decahydro-1H-4,1,7-benzoxadiazecin-8(5H)-one
rel-(8aR,12aS)-decahydro-1H-4,1,7-benzoxadiazecin-8(5H)-one
Compound characteristics
| Compound ID: | S767-0078 |
| Compound Name: | rel-(8aR,12aS)-decahydro-1H-4,1,7-benzoxadiazecin-8(5H)-one |
| Molecular Weight: | 212.29 |
| Molecular Formula: | C11 H20 N2 O2 |
| Smiles: | C1CC[C@@H]2[C@H](C1)C(NCCOCCN2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.0339 |
| logD: | -1.3535 |
| logSw: | -1.1044 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.839 |
| InChI Key: | AOXMLEZFULQGSD-ZJUUUORDSA-N |