6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-benzoxazol-2(3H)-one
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | F820-0086 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 426.45 |
| Molecular Formula: | C20 H18 N4 O5 S |
| Smiles: | Cc1nc(CN2C(=O)Oc3cc(ccc23)S(N2CCc3ccccc3C2)(=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.7418 |
| logD: | 2.7418 |
| logSw: | -3.3713 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.607 |
| InChI Key: | BQJPYTOVVALMPC-UHFFFAOYSA-N |