[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](1-methylpiperidin-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-methylpiperidin-4-yl)methanone
[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](1-methylpiperidin-4-yl)methanone
Compound characteristics
| Compound ID: | SB20-1103 |
| Compound Name: | [(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](1-methylpiperidin-4-yl)methanone |
| Molecular Weight: | 436.56 |
| Molecular Formula: | C24 H32 N6 O2 |
| Smiles: | CN1CCC(CC1)C(N1CCC[C@H]1Cn1cc(C(N2CCc3ccccc3C2)=O)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.1767 |
| logD: | -2.5763 |
| logSw: | -1.9016 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.391 |
| InChI Key: | FMMQKQPFZRCOKV-NRFANRHFSA-N |