[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](2,4-dimethylphenyl)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](2,4-dimethylphenyl)methanone
[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](2,4-dimethylphenyl)methanone
Compound characteristics
| Compound ID: | SB20-0838 |
| Compound Name: | [(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](2,4-dimethylphenyl)methanone |
| Molecular Weight: | 443.55 |
| Molecular Formula: | C26 H29 N5 O2 |
| Smiles: | Cc1ccc(C(N2CCC[C@H]2Cn2cc(C(N3CCc4ccccc4C3)=O)nn2)=O)c(C)c1 |
| Stereo: | ABSOLUTE |
| logP: | 3.6305 |
| logD: | 3.6305 |
| logSw: | -3.5487 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.722 |
| InChI Key: | NRHWBGAMXPGANJ-QFIPXVFZSA-N |