rel-(9aR,12aS)-1-(2,3-dihydro-1H-indene-5-sulfonyl)decahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecin-9(6H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-(2,3-dihydro-1H-indene-5-sulfonyl)decahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecin-9(6H)-one
rel-(9aR,12aS)-1-(2,3-dihydro-1H-indene-5-sulfonyl)decahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecin-9(6H)-one
Compound characteristics
| Compound ID: | S795-0259 |
| Compound Name: | rel-(9aR,12aS)-1-(2,3-dihydro-1H-indene-5-sulfonyl)decahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecin-9(6H)-one |
| Molecular Weight: | 392.52 |
| Molecular Formula: | C20 H28 N2 O4 S |
| Smiles: | C1Cc2ccc(cc2C1)S(N1CCCOCCNC([C@@H]2CCC[C@H]12)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1937 |
| logD: | 2.1937 |
| logSw: | -2.9001 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.909 |
| InChI Key: | RMCFMFXMJJISAZ-MOPGFXCFSA-N |