5-(5-methylthiophene-2-carbonyl)-9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-(5-methylthiophene-2-carbonyl)-9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one
5-(5-methylthiophene-2-carbonyl)-9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S747-0626 |
| Compound Name: | 5-(5-methylthiophene-2-carbonyl)-9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 439.54 |
| Molecular Formula: | C22 H25 N5 O3 S |
| Smiles: | Cc1ccc(C(N2CCCC(CCNC(CC2)=O)c2nc(c3cccnc3)no2)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2911 |
| logD: | 1.6524 |
| logSw: | -2.1986 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.183 |
| InChI Key: | RLLZJURYRMZWCB-INIZCTEOSA-N |