4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-7-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-7-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-6-methyl-2H-1,4-benzoxazin-3(4H)-one
4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-7-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L310-3230 |
| Compound Name: | 4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-7-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 494.57 |
| Molecular Formula: | C25 H26 N4 O5 S |
| Smiles: | Cc1cc2c(cc1S(N1CCc3ccccc3C1)(=O)=O)OCC(N2Cc1nc(C2CCC2)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5775 |
| logD: | 3.5775 |
| logSw: | -3.7322 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.632 |
| InChI Key: | KXHQWUSJIADKMX-UHFFFAOYSA-N |