[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](1-methylcyclopropyl)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](1-methylcyclopropyl)methanone
[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](1-methylcyclopropyl)methanone
Compound characteristics
| Compound ID: | SB20-1079 |
| Compound Name: | [(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](1-methylcyclopropyl)methanone |
| Molecular Weight: | 393.49 |
| Molecular Formula: | C22 H27 N5 O2 |
| Smiles: | CC1(CC1)C(N1CCC[C@H]1Cn1cc(C(N2CCc3ccccc3C2)=O)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.6858 |
| logD: | 1.6858 |
| logSw: | -1.9233 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.245 |
| InChI Key: | PMEVYFKWEBQHEE-SFHVURJKSA-N |