2-({3-[6-(azepan-1-yl)pyridin-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-({3-[6-(azepan-1-yl)pyridin-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-1,2,3,4-tetrahydroisoquinoline
2-({3-[6-(azepan-1-yl)pyridin-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
Compound ID: | P166-1583 |
Compound Name: | 2-({3-[6-(azepan-1-yl)pyridin-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-1,2,3,4-tetrahydroisoquinoline |
Molecular Weight: | 389.5 |
Molecular Formula: | C23 H27 N5 O |
Smiles: | C1CCCN(CC1)c1ccc(cn1)c1nc(CN2CCc3ccccc3C2)on1 |
Stereo: | ACHIRAL |
logP: | 5.0975 |
logD: | 4.4182 |
logSw: | -4.9762 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 47.36 |
InChI Key: | VNJPQXGQWCEKAM-UHFFFAOYSA-N |