[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](3-methyl-1H-pyrazol-5-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](3-methyl-1H-pyrazol-5-yl)methanone
[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](3-methyl-1H-pyrazol-5-yl)methanone
Compound characteristics
| Compound ID: | SB20-1120 |
| Compound Name: | [(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](3-methyl-1H-pyrazol-5-yl)methanone |
| Molecular Weight: | 419.49 |
| Molecular Formula: | C22 H25 N7 O2 |
| Smiles: | Cc1cc(C(N2CCC[C@H]2Cn2cc(C(N3CCc4ccccc4C3)=O)nn2)=O)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 1.6054 |
| logD: | 1.6053 |
| logSw: | -2.1762 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.29 |
| InChI Key: | HSZPBFIXOGSEQB-SFHVURJKSA-N |