rel-(9aR,12aS)-8-methyl-1-(thiophene-2-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-8-methyl-1-(thiophene-2-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-8-methyl-1-(thiophene-2-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0530 |
| Compound Name: | rel-(9aR,12aS)-8-methyl-1-(thiophene-2-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 370.53 |
| Molecular Formula: | C17 H26 N2 O3 S2 |
| Smiles: | CN1CCCCCCN([C@H]2CCC[C@H]2C1=O)S(c1cccs1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2399 |
| logD: | 2.2399 |
| logSw: | -2.7497 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.065 |
| InChI Key: | WXHFDVLFJQRYAD-CABCVRRESA-N |