1-[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]propan-1-one
Chemical Structure Depiction of
1-[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]propan-1-one
1-[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]propan-1-one
Compound characteristics
| Compound ID: | SB20-0881 |
| Compound Name: | 1-[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]propan-1-one |
| Molecular Weight: | 367.45 |
| Molecular Formula: | C20 H25 N5 O2 |
| Smiles: | CCC(N1CCC[C@H]1Cn1cc(C(N2CCc3ccccc3C2)=O)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.7302 |
| logD: | 1.7302 |
| logSw: | -1.9865 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.466 |
| InChI Key: | FNLMUMWOPMPPBT-KRWDZBQOSA-N |