[1-({(2S)-1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazol-4-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
Chemical Structure Depiction of
[1-({(2S)-1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazol-4-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
[1-({(2S)-1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazol-4-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
Compound characteristics
| Compound ID: | SB20-0840 |
| Compound Name: | [1-({(2S)-1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazol-4-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone |
| Molecular Weight: | 437.49 |
| Molecular Formula: | C24 H25 F2 N5 O |
| Smiles: | C1C[C@@H](Cn2cc(C(N3CCc4ccccc4C3)=O)nn2)N(C1)Cc1cc(cc(c1)F)F |
| Stereo: | ABSOLUTE |
| logP: | 3.583 |
| logD: | 3.5331 |
| logSw: | -3.5187 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.972 |
| InChI Key: | MIKJKBJHHWEIFS-QFIPXVFZSA-N |