rel-(9aR,13aS)-tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
Chemical Structure Depiction of
rel-(9aR,13aS)-tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
rel-(9aR,13aS)-tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
Compound characteristics
| Compound ID: | S775-0078 |
| Compound Name: | rel-(9aR,13aS)-tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one |
| Molecular Weight: | 224.34 |
| Molecular Formula: | C13 H24 N2 O |
| Smiles: | C1CCCN[C@H]2CCCC[C@H]2C(NCC1)=O |
| Stereo: | RELATIVE |
| logP: | 1.3959 |
| logD: | -0.9726 |
| logSw: | -1.9313 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 37.931 |
| InChI Key: | LOGUPMNNNMYXAE-NEPJUHHUSA-N |