5-(benzenesulfonyl)-9-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-(benzenesulfonyl)-9-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one
5-(benzenesulfonyl)-9-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one
Compound characteristics
Compound ID: | S747-0246 |
Compound Name: | 5-(benzenesulfonyl)-9-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one |
Molecular Weight: | 420.53 |
Molecular Formula: | C20 H28 N4 O4 S |
Smiles: | CC(C)c1nc(C2CCCN(CCC(NCC2)=O)S(c2ccccc2)(=O)=O)on1 |
Stereo: | RACEMIC MIXTURE |
logP: | 2.1621 |
logD: | 2.1621 |
logSw: | -2.6003 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 88.981 |
InChI Key: | HOHBKVBIYWBHDR-INIZCTEOSA-N |