rel-(9aR,13aS)-1-(2,5-dimethoxybenzene-1-sulfonyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
Chemical Structure Depiction of
rel-(9aR,13aS)-1-(2,5-dimethoxybenzene-1-sulfonyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
rel-(9aR,13aS)-1-(2,5-dimethoxybenzene-1-sulfonyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
Compound characteristics
| Compound ID: | S775-0250 |
| Compound Name: | rel-(9aR,13aS)-1-(2,5-dimethoxybenzene-1-sulfonyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one |
| Molecular Weight: | 424.56 |
| Molecular Formula: | C21 H32 N2 O5 S |
| Smiles: | COc1ccc(c(c1)S(N1CCCCCCNC([C@@H]2CCCC[C@H]12)=O)(=O)=O)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8378 |
| logD: | 2.8378 |
| logSw: | -3.3328 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.522 |
| InChI Key: | IABSXRVXNVSXFG-MSOLQXFVSA-N |