[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](1,3-dimethyl-1H-pyrazol-4-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](1,3-dimethyl-1H-pyrazol-4-yl)methanone
[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](1,3-dimethyl-1H-pyrazol-4-yl)methanone
Compound characteristics
| Compound ID: | SB20-0854 |
| Compound Name: | [(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](1,3-dimethyl-1H-pyrazol-4-yl)methanone |
| Molecular Weight: | 433.51 |
| Molecular Formula: | C23 H27 N7 O2 |
| Smiles: | Cc1c(cn(C)n1)C(N1CCC[C@H]1Cn1cc(C(N2CCc3ccccc3C2)=O)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.141 |
| logD: | 1.1409 |
| logSw: | -2.1073 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 74.884 |
| InChI Key: | DZWWJZISXPTVSZ-IBGZPJMESA-N |