1-[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-3-phenylpropan-1-one
Chemical Structure Depiction of
1-[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-3-phenylpropan-1-one
1-[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-3-phenylpropan-1-one
Compound characteristics
| Compound ID: | SB20-0879 |
| Compound Name: | 1-[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-3-phenylpropan-1-one |
| Molecular Weight: | 443.55 |
| Molecular Formula: | C26 H29 N5 O2 |
| Smiles: | C1C[C@@H](Cn2cc(C(N3CCc4ccccc4C3)=O)nn2)N(C1)C(CCc1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.2084 |
| logD: | 3.2084 |
| logSw: | -2.9312 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.195 |
| InChI Key: | RNTJAPGRLUVULR-QHCPKHFHSA-N |