7-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
7-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L310-2444 |
| Compound Name: | 7-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 468.53 |
| Molecular Formula: | C23 H24 N4 O5 S |
| Smiles: | CCc1nc(CN2C(COc3cc(c(C)cc23)S(N2CCc3ccccc3C2)(=O)=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.3012 |
| logD: | 3.3012 |
| logSw: | -3.6047 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.046 |
| InChI Key: | NRGLFJQOPPDPKZ-UHFFFAOYSA-N |