1-[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(2-methyl-1H-imidazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(2-methyl-1H-imidazol-1-yl)ethan-1-one
1-[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(2-methyl-1H-imidazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | SB20-0852 |
| Compound Name: | 1-[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(2-methyl-1H-imidazol-1-yl)ethan-1-one |
| Molecular Weight: | 433.51 |
| Molecular Formula: | C23 H27 N7 O2 |
| Smiles: | Cc1nccn1CC(N1CCC[C@H]1Cn1cc(C(N2CCc3ccccc3C2)=O)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.7088 |
| logD: | -0.3163 |
| logSw: | -1.4071 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 71.753 |
| InChI Key: | KGFSRUCXFMGSQB-FQEVSTJZSA-N |