[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](2-methylpyrimidin-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](2-methylpyrimidin-5-yl)methanone
[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](2-methylpyrimidin-5-yl)methanone
Compound characteristics
| Compound ID: | SB20-1117 |
| Compound Name: | [(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](2-methylpyrimidin-5-yl)methanone |
| Molecular Weight: | 431.5 |
| Molecular Formula: | C23 H25 N7 O2 |
| Smiles: | Cc1ncc(cn1)C(N1CCC[C@H]1Cn1cc(C(N2CCc3ccccc3C2)=O)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.0889 |
| logD: | 1.0889 |
| logSw: | -1.8744 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 78.95 |
| InChI Key: | KNMXMMSKKMIYQE-FQEVSTJZSA-N |