[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](5-methyl-1,2-oxazol-3-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](5-methyl-1,2-oxazol-3-yl)methanone
[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](5-methyl-1,2-oxazol-3-yl)methanone
Compound characteristics
| Compound ID: | SB20-0821 |
| Compound Name: | [(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](5-methyl-1,2-oxazol-3-yl)methanone |
| Molecular Weight: | 420.47 |
| Molecular Formula: | C22 H24 N6 O3 |
| Smiles: | Cc1cc(C(N2CCC[C@H]2Cn2cc(C(N3CCc4ccccc4C3)=O)nn2)=O)no1 |
| Stereo: | ABSOLUTE |
| logP: | 2.0549 |
| logD: | 2.0549 |
| logSw: | -2.3733 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 80.951 |
| InChI Key: | BGNTXIMXHMYIEM-SFHVURJKSA-N |