1-[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-methoxyethan-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]-2-methoxyethan-1-one
1-[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | SB20-1078 |
| Compound Name: | 1-[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-methoxyethan-1-one |
| Molecular Weight: | 383.45 |
| Molecular Formula: | C20 H25 N5 O3 |
| Smiles: | COCC(N1CCC[C@H]1Cn1cc(C(N2CCc3ccccc3C2)=O)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.8721 |
| logD: | 0.8721 |
| logSw: | -1.4765 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.89 |
| InChI Key: | HHUUSRNACWUQJB-KRWDZBQOSA-N |