rel-(9aR,13aS)-dodecahydro-5,1,8-benzoxadiazacycloundecin-9(6H)-one
Chemical Structure Depiction of
rel-(9aR,13aS)-dodecahydro-5,1,8-benzoxadiazacycloundecin-9(6H)-one
rel-(9aR,13aS)-dodecahydro-5,1,8-benzoxadiazacycloundecin-9(6H)-one
Compound characteristics
| Compound ID: | S797-0078 |
| Compound Name: | rel-(9aR,13aS)-dodecahydro-5,1,8-benzoxadiazacycloundecin-9(6H)-one |
| Molecular Weight: | 226.32 |
| Molecular Formula: | C12 H22 N2 O2 |
| Smiles: | C1CC[C@H]2C(NCCOCCCN[C@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3779 |
| logD: | -2.0513 |
| logSw: | -1.2114 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.839 |
| InChI Key: | MGXWUNLIOWQJDZ-MNOVXSKESA-N |