rel-(9aR,12aS)-1-(2,5-dimethoxybenzene-1-sulfonyl)decahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecin-9(6H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-(2,5-dimethoxybenzene-1-sulfonyl)decahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecin-9(6H)-one
rel-(9aR,12aS)-1-(2,5-dimethoxybenzene-1-sulfonyl)decahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecin-9(6H)-one
Compound characteristics
| Compound ID: | S795-0250 |
| Compound Name: | rel-(9aR,12aS)-1-(2,5-dimethoxybenzene-1-sulfonyl)decahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecin-9(6H)-one |
| Molecular Weight: | 412.5 |
| Molecular Formula: | C19 H28 N2 O6 S |
| Smiles: | COc1ccc(c(c1)S(N1CCCOCCNC([C@@H]2CCC[C@H]12)=O)(=O)=O)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1066 |
| logD: | 1.1066 |
| logSw: | -2.4366 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.796 |
| InChI Key: | LLSPDFOGTWRIKI-CVEARBPZSA-N |