(2S)-N-benzyl-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-1-carboxamide
Chemical Structure Depiction of
(2S)-N-benzyl-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-1-carboxamide
(2S)-N-benzyl-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-1-carboxamide
Compound characteristics
| Compound ID: | SB20-0808 |
| Compound Name: | (2S)-N-benzyl-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-1-carboxamide |
| Molecular Weight: | 444.54 |
| Molecular Formula: | C25 H28 N6 O2 |
| Smiles: | C1C[C@@H](Cn2cc(C(N3CCc4ccccc4C3)=O)nn2)N(C1)C(NCc1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.6185 |
| logD: | 2.6185 |
| logSw: | -2.6294 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.865 |
| InChI Key: | BONGXMWVPAAVRV-QFIPXVFZSA-N |