rel-(9aR,11R,12aS)-1-(1-ethyl-1H-pyrazole-3-carbonyl)-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,11R,12aS)-1-(1-ethyl-1H-pyrazole-3-carbonyl)-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,11R,12aS)-1-(1-ethyl-1H-pyrazole-3-carbonyl)-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S763-0425 |
| Compound Name: | rel-(9aR,11R,12aS)-1-(1-ethyl-1H-pyrazole-3-carbonyl)-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 477.57 |
| Molecular Formula: | C25 H31 N7 O3 |
| Smiles: | CCn1ccc(C(N2CCCCCCNC([C@@H]3C[C@H](C[C@H]23)c2nc(c3cccnc3)no2)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0946 |
| logD: | 1.4559 |
| logSw: | -2.3414 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.183 |
| InChI Key: | LGZLJMAKBBQJLC-SBHAEUEKSA-N |