rel-(9aR,11R,12aS)-1-[(3-methoxyphenyl)acetyl]-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-[(3-methoxyphenyl)acetyl]-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,11R,12aS)-1-[(3-methoxyphenyl)acetyl]-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S763-0312 |
| Compound Name: | rel-(9aR,11R,12aS)-1-[(3-methoxyphenyl)acetyl]-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 503.6 |
| Molecular Formula: | C28 H33 N5 O4 |
| Smiles: | COc1cccc(CC(N2CCCCCCNC([C@H]3C[C@@H](C[C@@H]23)c2nc(c3cccnc3)no2)=O)=O)c1 |
| Stereo: | RELATIVE |
| logP: | 3.5489 |
| logD: | 2.9102 |
| logSw: | -3.4463 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.814 |
| InChI Key: | WXPOFXCVLGCGCO-QTJGBDASSA-N |