rel-(9aR,12aS)-1-(2,5-dimethoxybenzene-1-sulfonyl)-8-methyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-(2,5-dimethoxybenzene-1-sulfonyl)-8-methyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-(2,5-dimethoxybenzene-1-sulfonyl)-8-methyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0534 |
| Compound Name: | rel-(9aR,12aS)-1-(2,5-dimethoxybenzene-1-sulfonyl)-8-methyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 424.56 |
| Molecular Formula: | C21 H32 N2 O5 S |
| Smiles: | CN1CCCCCCN([C@H]2CCC[C@H]2C1=O)S(c1cc(ccc1OC)OC)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.4554 |
| logD: | 2.4554 |
| logSw: | -2.9052 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.221 |
| InChI Key: | BYAPCEWCWFKPSB-MSOLQXFVSA-N |