[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](1-methyl-1H-imidazol-5-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](1-methyl-1H-imidazol-5-yl)methanone
[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](1-methyl-1H-imidazol-5-yl)methanone
Compound characteristics
| Compound ID: | SB20-1111 |
| Compound Name: | [(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](1-methyl-1H-imidazol-5-yl)methanone |
| Molecular Weight: | 419.49 |
| Molecular Formula: | C22 H25 N7 O2 |
| Smiles: | Cn1cncc1C(N1CCC[C@H]1Cn1cc(C(N2CCc3ccccc3C2)=O)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.9091 |
| logD: | 0.8913 |
| logSw: | -1.2767 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.968 |
| InChI Key: | OXDZKWGZSQLMOA-SFHVURJKSA-N |