3-methyl-6-{5-[1-(4-methylbenzene-1-sulfonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl}-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-methyl-6-{5-[1-(4-methylbenzene-1-sulfonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl}-1,3-benzoxazol-2(3H)-one
3-methyl-6-{5-[1-(4-methylbenzene-1-sulfonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl}-1,3-benzoxazol-2(3H)-one
Compound characteristics
Compound ID: | M355-0006 |
Compound Name: | 3-methyl-6-{5-[1-(4-methylbenzene-1-sulfonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl}-1,3-benzoxazol-2(3H)-one |
Molecular Weight: | 454.5 |
Molecular Formula: | C22 H22 N4 O5 S |
Smiles: | Cc1ccc(cc1)S(N1CCCC(C1)c1nc(c2ccc3c(c2)OC(N3C)=O)no1)(=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.0872 |
logD: | 4.0872 |
logSw: | -4.3592 |
Hydrogen bond acceptors count: | 11 |
Polar surface area: | 86.154 |
InChI Key: | KEPNYKUSRBTFMZ-INIZCTEOSA-N |