2-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
Chemical Structure Depiction of
2-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
2-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
Compound characteristics
Compound ID: | E019-0886 |
Compound Name: | 2-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one |
Molecular Weight: | 417.53 |
Molecular Formula: | C24 H23 N3 O2 S |
Smiles: | CC1c2c(C(N(CCCC(N3CCc4ccccc4C3)=O)N=1)=O)c1ccccc1s2 |
Stereo: | ACHIRAL |
logP: | 3.9098 |
logD: | 3.9098 |
logSw: | -4.0748 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 43.419 |
InChI Key: | KVFSCEVPGZQZFR-UHFFFAOYSA-N |