3-({5-[1-(4-methylbenzene-1-sulfonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl}methyl)-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-({5-[1-(4-methylbenzene-1-sulfonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl}methyl)-1,3-benzoxazol-2(3H)-one
3-({5-[1-(4-methylbenzene-1-sulfonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl}methyl)-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | F620-0003 |
| Compound Name: | 3-({5-[1-(4-methylbenzene-1-sulfonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl}methyl)-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 454.5 |
| Molecular Formula: | C22 H22 N4 O5 S |
| Smiles: | Cc1ccc(cc1)S(N1CCC(CC1)c1nc(CN2C(=O)Oc3ccccc23)no1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7021 |
| logD: | 3.7021 |
| logSw: | -3.984 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.446 |
| InChI Key: | QPKLHMXRDHCKGT-UHFFFAOYSA-N |