rel-(9aR,12aS)-1-benzoyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-benzoyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-benzoyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | SB82-0732 |
| Compound Name: | rel-(9aR,12aS)-1-benzoyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C24 H32 N4 O3 |
| Smiles: | Cc1c(CN2CCCN(C(c3ccccc3)=O)[C@H]3CCC[C@H]3C(NCC2)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7363 |
| logD: | -0.1897 |
| logSw: | -2.5374 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.453 |
| InChI Key: | KZDUYUSXHCFBNL-IRLDBZIGSA-N |