[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](2-methylpyridin-3-yl)methanone
Chemical Structure Depiction of
[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](2-methylpyridin-3-yl)methanone
[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](2-methylpyridin-3-yl)methanone
Compound characteristics
Compound ID: | SB20-0803 |
Compound Name: | [(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](2-methylpyridin-3-yl)methanone |
Molecular Weight: | 430.51 |
Molecular Formula: | C24 H26 N6 O2 |
Smiles: | Cc1c(cccn1)C(N1CCC[C@H]1Cn1cc(C(N2CCc3ccccc3C2)=O)nn1)=O |
Stereo: | ABSOLUTE |
logP: | 1.942 |
logD: | 1.9418 |
logSw: | -2.4228 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 69.347 |
InChI Key: | WAVRJPOCAQISKE-FQEVSTJZSA-N |