[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](1-ethyl-1H-pyrazol-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](1-ethyl-1H-pyrazol-3-yl)methanone
[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](1-ethyl-1H-pyrazol-3-yl)methanone
Compound characteristics
| Compound ID: | SB20-0845 |
| Compound Name: | [(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](1-ethyl-1H-pyrazol-3-yl)methanone |
| Molecular Weight: | 433.51 |
| Molecular Formula: | C23 H27 N7 O2 |
| Smiles: | CCn1ccc(C(N2CCC[C@H]2Cn2cc(C(N3CCc4ccccc4C3)=O)nn2)=O)n1 |
| Stereo: | ABSOLUTE |
| logP: | 1.4215 |
| logD: | 1.4215 |
| logSw: | -1.7831 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 74.107 |
| InChI Key: | VSXVORNHCSNULR-IBGZPJMESA-N |