rel-(9aR,12aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1-(methanesulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1-(methanesulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
rel-(9aR,12aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1-(methanesulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | SB82-0988 |
| Compound Name: | rel-(9aR,12aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1-(methanesulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one |
| Molecular Weight: | 426.53 |
| Molecular Formula: | C19 H30 N4 O5 S |
| Smiles: | Cc1c(CC(N2CCCN([C@H]3CCC[C@H]3C(NCC2)=O)S(C)(=O)=O)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.2005 |
| logD: | -0.2005 |
| logSw: | -2.0765 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.445 |
| InChI Key: | KOTNFTRFKXAXDI-WBVHZDCISA-N |