9-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]-5-{[4-(trifluoromethyl)phenyl]methyl}-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
9-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]-5-{[4-(trifluoromethyl)phenyl]methyl}-1,5-diazacycloundecan-2-one
9-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]-5-{[4-(trifluoromethyl)phenyl]methyl}-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S747-1351 |
| Compound Name: | 9-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]-5-{[4-(trifluoromethyl)phenyl]methyl}-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 474.48 |
| Molecular Formula: | C23 H25 F3 N6 O2 |
| Smiles: | C1CC(CCNC(CCN(C1)Cc1ccc(cc1)C(F)(F)F)=O)c1nc(c2cnccn2)no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3949 |
| logD: | 1.3519 |
| logSw: | -2.4354 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.297 |
| InChI Key: | IWQMYHPRPRZDJN-KRWDZBQOSA-N |