rel-(9aR,12aS)-1-(benzenesulfonyl)decahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecin-9(6H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-(benzenesulfonyl)decahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecin-9(6H)-one
rel-(9aR,12aS)-1-(benzenesulfonyl)decahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecin-9(6H)-one
Compound characteristics
| Compound ID: | S795-0242 |
| Compound Name: | rel-(9aR,12aS)-1-(benzenesulfonyl)decahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecin-9(6H)-one |
| Molecular Weight: | 352.45 |
| Molecular Formula: | C17 H24 N2 O4 S |
| Smiles: | C1C[C@H]2[C@@H](C1)C(NCCOCCCN2S(c1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.069 |
| logD: | 1.069 |
| logSw: | -2.4018 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.622 |
| InChI Key: | DNDKEEZIUMXEEM-CVEARBPZSA-N |