rel-(9aR,11R,12aS)-1-(4-phenylbutanoyl)-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-(4-phenylbutanoyl)-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,11R,12aS)-1-(4-phenylbutanoyl)-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S763-0334 |
| Compound Name: | rel-(9aR,11R,12aS)-1-(4-phenylbutanoyl)-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 501.63 |
| Molecular Formula: | C29 H35 N5 O3 |
| Smiles: | C1CCCN(C(CCCc2ccccc2)=O)[C@H]2C[C@@H](C[C@H]2C(NCC1)=O)c1nc(c2cccnc2)no1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.4626 |
| logD: | 3.8239 |
| logSw: | -4.1906 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.27 |
| InChI Key: | VAUWSAHYYPNTTA-GVAUOCQISA-N |