rel-(8aR,12aS)-dodecahydro-1,7-benzodiazecin-8(1H)-one
Chemical Structure Depiction of
rel-(8aR,12aS)-dodecahydro-1,7-benzodiazecin-8(1H)-one
rel-(8aR,12aS)-dodecahydro-1,7-benzodiazecin-8(1H)-one
Compound characteristics
| Compound ID: | S780-0078 |
| Compound Name: | rel-(8aR,12aS)-dodecahydro-1,7-benzodiazecin-8(1H)-one |
| Molecular Weight: | 210.32 |
| Molecular Formula: | C12 H22 N2 O |
| Smiles: | [H]N1CCCCCNC([C@@H]2CCCC[C@H]12)=O |
| Stereo: | RELATIVE |
| logP: | 0.8999 |
| logD: | -1.3527 |
| logSw: | -1.4732 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 37.931 |
| InChI Key: | CJXSCUFMOJBAJZ-MNOVXSKESA-N |