rel-(8aR,11aS)-1-(2,5-dimethoxybenzene-1-sulfonyl)decahydrocyclopenta[e][1,4,8]oxadiazecin-8(5H)-one
Chemical Structure Depiction of
rel-(8aR,11aS)-1-(2,5-dimethoxybenzene-1-sulfonyl)decahydrocyclopenta[e][1,4,8]oxadiazecin-8(5H)-one
rel-(8aR,11aS)-1-(2,5-dimethoxybenzene-1-sulfonyl)decahydrocyclopenta[e][1,4,8]oxadiazecin-8(5H)-one
Compound characteristics
| Compound ID: | S798-0250 |
| Compound Name: | rel-(8aR,11aS)-1-(2,5-dimethoxybenzene-1-sulfonyl)decahydrocyclopenta[e][1,4,8]oxadiazecin-8(5H)-one |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C18 H26 N2 O6 S |
| Smiles: | COc1ccc(c(c1)S(N1CCOCCNC([C@@H]2CCC[C@H]12)=O)(=O)=O)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9108 |
| logD: | 0.9108 |
| logSw: | -2.4363 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.796 |
| InChI Key: | CKEBJFRGIGOSEP-CABCVRRESA-N |