rel-(9aR,13aS)-1-(2,5-dimethoxybenzene-1-sulfonyl)dodecahydro-5,1,8-benzoxadiazacycloundecin-9(6H)-one
Chemical Structure Depiction of
rel-(9aR,13aS)-1-(2,5-dimethoxybenzene-1-sulfonyl)dodecahydro-5,1,8-benzoxadiazacycloundecin-9(6H)-one
rel-(9aR,13aS)-1-(2,5-dimethoxybenzene-1-sulfonyl)dodecahydro-5,1,8-benzoxadiazacycloundecin-9(6H)-one
Compound characteristics
| Compound ID: | S797-0250 |
| Compound Name: | rel-(9aR,13aS)-1-(2,5-dimethoxybenzene-1-sulfonyl)dodecahydro-5,1,8-benzoxadiazacycloundecin-9(6H)-one |
| Molecular Weight: | 426.53 |
| Molecular Formula: | C20 H30 N2 O6 S |
| Smiles: | COc1ccc(c(c1)S(N1CCCOCCNC([C@@H]2CCCC[C@H]12)=O)(=O)=O)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6522 |
| logD: | 1.6522 |
| logSw: | -2.6202 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.43 |
| InChI Key: | OHRWNWVDZYHSKR-SJORKVTESA-N |