[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](3,5-dimethyl-1,2-oxazol-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](3,5-dimethyl-1,2-oxazol-4-yl)methanone
[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](3,5-dimethyl-1,2-oxazol-4-yl)methanone
Compound characteristics
| Compound ID: | SB20-0851 |
| Compound Name: | [(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](3,5-dimethyl-1,2-oxazol-4-yl)methanone |
| Molecular Weight: | 434.5 |
| Molecular Formula: | C23 H26 N6 O3 |
| Smiles: | Cc1c(C(N2CCC[C@H]2Cn2cc(C(N3CCc4ccccc4C3)=O)nn2)=O)c(C)on1 |
| Stereo: | ABSOLUTE |
| logP: | 1.6357 |
| logD: | 1.6357 |
| logSw: | -1.8928 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 81.76 |
| InChI Key: | OPYLLPJOWZEPQY-IBGZPJMESA-N |