rel-(9aR,12aS)-1-(methanesulfonyl)-5-(5-methyl-1,2-oxazole-3-carbonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-(methanesulfonyl)-5-(5-methyl-1,2-oxazole-3-carbonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-(methanesulfonyl)-5-(5-methyl-1,2-oxazole-3-carbonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | SB82-0955 |
| Compound Name: | rel-(9aR,12aS)-1-(methanesulfonyl)-5-(5-methyl-1,2-oxazole-3-carbonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C17 H26 N4 O5 S |
| Smiles: | Cc1cc(C(N2CCCN([C@H]3CCC[C@H]3C(NCC2)=O)S(C)(=O)=O)=O)no1 |
| Stereo: | RELATIVE |
| logP: | -0.0206 |
| logD: | -0.0206 |
| logSw: | -2.2879 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.162 |
| InChI Key: | NYOREKQIEDIFPR-HIFRSBDPSA-N |