N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide--hydrogen chloride (1/1)
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | L233-1854 |
Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide--hydrogen chloride (1/1) |
Molecular Weight: | 535.06 |
Molecular Formula: | C24 H23 F N4 O3 S2 |
Salt: | HCl |
Smiles: | Cc1c(cc(c2nc(c3cccc(c3)F)no2)s1)S(NCCN1CCc2ccccc2C1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 5.5959 |
logD: | 5.5282 |
logSw: | -5.5452 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 77.907 |
InChI Key: | VVNNCAUCUOLZKR-UHFFFAOYSA-N |