9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-5-(thiophene-2-sulfonyl)-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-5-(thiophene-2-sulfonyl)-1,5-diazacycloundecan-2-one
9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-5-(thiophene-2-sulfonyl)-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S747-0846 |
| Compound Name: | 9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-5-(thiophene-2-sulfonyl)-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C20 H23 N5 O4 S2 |
| Smiles: | C1CC(CCNC(CCN(C1)S(c1cccs1)(=O)=O)=O)c1nc(c2cccnc2)no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4864 |
| logD: | 0.8477 |
| logSw: | -1.7937 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.246 |
| InChI Key: | ARXHYPQJQQZMAH-HNNXBMFYSA-N |