[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](3-fluoro-4-methylphenyl)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-fluoro-4-methylphenyl)methanone
[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](3-fluoro-4-methylphenyl)methanone
Compound characteristics
| Compound ID: | SB20-0814 |
| Compound Name: | [(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](3-fluoro-4-methylphenyl)methanone |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C25 H26 F N5 O2 |
| Smiles: | Cc1ccc(cc1F)C(N1CCC[C@H]1Cn1cc(C(N2CCc3ccccc3C2)=O)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.2778 |
| logD: | 3.2778 |
| logSw: | -3.1853 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.722 |
| InChI Key: | AZYRHKDVPDLDTC-NRFANRHFSA-N |