rel-(9aR,12aS)-1-(1-methyl-1H-imidazole-4-sulfonyl)decahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecin-9(6H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-(1-methyl-1H-imidazole-4-sulfonyl)decahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecin-9(6H)-one
rel-(9aR,12aS)-1-(1-methyl-1H-imidazole-4-sulfonyl)decahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecin-9(6H)-one
Compound characteristics
| Compound ID: | S795-0248 |
| Compound Name: | rel-(9aR,12aS)-1-(1-methyl-1H-imidazole-4-sulfonyl)decahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecin-9(6H)-one |
| Molecular Weight: | 356.44 |
| Molecular Formula: | C15 H24 N4 O4 S |
| Smiles: | Cn1cc(nc1)S(N1CCCOCCNC([C@@H]2CCC[C@H]12)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.5996 |
| logD: | -0.5996 |
| logSw: | -2.0875 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.033 |
| InChI Key: | DUKMSGYUQIQOPL-OLZOCXBDSA-N |