4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L309-1265 |
| Compound Name: | 4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 480.54 |
| Molecular Formula: | C24 H24 N4 O5 S |
| Smiles: | C1CC(C1)c1nc(CN2C(COc3ccc(cc23)S(N2CCc3ccccc3C2)(=O)=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.3568 |
| logD: | 3.3568 |
| logSw: | -3.6245 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.632 |
| InChI Key: | YPNDWSFLZFGEFK-UHFFFAOYSA-N |