5-(1-ethyl-1H-pyrazole-4-sulfonyl)-9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-(1-ethyl-1H-pyrazole-4-sulfonyl)-9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one
5-(1-ethyl-1H-pyrazole-4-sulfonyl)-9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S747-0864 |
| Compound Name: | 5-(1-ethyl-1H-pyrazole-4-sulfonyl)-9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C21 H27 N7 O4 S |
| Smiles: | CCn1cc(cn1)S(N1CCCC(CCNC(CC1)=O)c1nc(c2cccnc2)no1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3357 |
| logD: | -0.3029 |
| logSw: | -1.7126 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.729 |
| InChI Key: | DKFXQVFMEVRLRZ-INIZCTEOSA-N |