9-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]-5-(thiophene-3-carbonyl)-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
9-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]-5-(thiophene-3-carbonyl)-1,5-diazacycloundecan-2-one
9-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]-5-(thiophene-3-carbonyl)-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S747-1243 |
| Compound Name: | 9-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]-5-(thiophene-3-carbonyl)-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 426.5 |
| Molecular Formula: | C20 H22 N6 O3 S |
| Smiles: | C1CC(CCNC(CCN(C1)C(c1ccsc1)=O)=O)c1nc(c2cnccn2)no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6741 |
| logD: | 0.6739 |
| logSw: | -1.6286 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.231 |
| InChI Key: | VBMBUTQXQVIQBH-AWEZNQCLSA-N |