3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1,3-benzoxazol-2(3H)-one
3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | F820-2051 |
| Compound Name: | 3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 466.51 |
| Molecular Formula: | C23 H22 N4 O5 S |
| Smiles: | C1CC(C1)c1nc(CN2C(=O)Oc3cc(ccc23)S(N2CCc3ccccc3C2)(=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.6124 |
| logD: | 3.6124 |
| logSw: | -3.8428 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.631 |
| InChI Key: | AUQQRUDTKRBTBL-UHFFFAOYSA-N |