rel-(9aR,11R,12aS)-1-[(3-methoxyphenyl)acetyl]-11-[3-(propan-2-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-(propan-2-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-(propan-2-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S763-0014 |
| Compound Name: | rel-(9aR,11R,12aS)-1-[(3-methoxyphenyl)acetyl]-11-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 468.6 |
| Molecular Formula: | C26 H36 N4 O4 |
| Smiles: | CC(C)c1nc([C@H]2C[C@@H]3C(NCCCCCCN(C(Cc4cccc(c4)OC)=O)[C@@H]3C2)=O)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.0161 |
| logD: | 4.0161 |
| logSw: | -4.0684 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.568 |
| InChI Key: | OWXUCHIEZBCYTG-NNWRFLSQSA-N |