5-(4-phenylbutanoyl)-9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-(4-phenylbutanoyl)-9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one
5-(4-phenylbutanoyl)-9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S747-0636 |
| Compound Name: | 5-(4-phenylbutanoyl)-9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C26 H31 N5 O3 |
| Smiles: | C(CC(N1CCCC(CCNC(CC1)=O)c1nc(c2cccnc2)no1)=O)Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6879 |
| logD: | 2.0492 |
| logSw: | -2.8126 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.637 |
| InChI Key: | KRVLNMSMXZZKGP-NRFANRHFSA-N |