1-[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-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-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
1-[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | SB20-1122 |
| Compound Name: | 1-[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C24 H28 N6 O3 |
| Smiles: | Cc1c(CC(N2CCC[C@H]2Cn2cc(C(N3CCc4ccccc4C3)=O)nn2)=O)c(C)on1 |
| Stereo: | ABSOLUTE |
| logP: | 1.8838 |
| logD: | 1.8838 |
| logSw: | -2.0138 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 81.233 |
| InChI Key: | DQYUPZWSGWQYIK-FQEVSTJZSA-N |