6-chloro-7-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-7-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one
6-chloro-7-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L310-0086 |
| Compound Name: | 6-chloro-7-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 474.92 |
| Molecular Formula: | C21 H19 Cl N4 O5 S |
| Smiles: | Cc1nc(CN2C(COc3cc(c(cc23)[Cl])S(N2CCc3ccccc3C2)(=O)=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.7833 |
| logD: | 2.7833 |
| logSw: | -3.3866 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.608 |
| InChI Key: | YHZKEEUXMRPXHL-UHFFFAOYSA-N |