rel-(9aR,12aS)-1-(methanesulfonyl)-8-methyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-(methanesulfonyl)-8-methyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-(methanesulfonyl)-8-methyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0540 |
| Compound Name: | rel-(9aR,12aS)-1-(methanesulfonyl)-8-methyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 302.43 |
| Molecular Formula: | C14 H26 N2 O3 S |
| Smiles: | CN1CCCCCCN([C@H]2CCC[C@H]2C1=O)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9663 |
| logD: | 0.9663 |
| logSw: | -2.0364 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.81 |
| InChI Key: | HXQBSJSEYGHMFI-OLZOCXBDSA-N |