[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](1H-pyrazol-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](1H-pyrazol-4-yl)methanone
[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](1H-pyrazol-4-yl)methanone
Compound characteristics
| Compound ID: | SB20-1098 |
| Compound Name: | [(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](1H-pyrazol-4-yl)methanone |
| Molecular Weight: | 405.46 |
| Molecular Formula: | C21 H23 N7 O2 |
| Smiles: | C1C[C@@H](Cn2cc(C(N3CCc4ccccc4C3)=O)nn2)N(C1)C(c1cn[nH]c1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.2238 |
| logD: | 1.2238 |
| logSw: | -2.0434 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.343 |
| InChI Key: | WYOXACUBRGAROE-SFHVURJKSA-N |