rel-(9aR,12aS)-1-benzoyl-5-[(6-methoxypyridin-2-yl)methyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-benzoyl-5-[(6-methoxypyridin-2-yl)methyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-benzoyl-5-[(6-methoxypyridin-2-yl)methyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | SB82-0735 |
| Compound Name: | rel-(9aR,12aS)-1-benzoyl-5-[(6-methoxypyridin-2-yl)methyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one |
| Molecular Weight: | 436.55 |
| Molecular Formula: | C25 H32 N4 O3 |
| Smiles: | COc1cccc(CN2CCCN(C(c3ccccc3)=O)[C@H]3CCC[C@H]3C(NCC2)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3195 |
| logD: | 1.2043 |
| logSw: | -2.7821 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.97 |
| InChI Key: | VPDWRNOWNYXLSW-YADHBBJMSA-N |