[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](thiophen-3-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](thiophen-3-yl)methanone
[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](thiophen-3-yl)methanone
Compound characteristics
| Compound ID: | SB20-0834 |
| Compound Name: | [(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](thiophen-3-yl)methanone |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C22 H23 N5 O2 S |
| Smiles: | C1C[C@@H](Cn2cc(C(N3CCc4ccccc4C3)=O)nn2)N(C1)C(c1ccsc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.5068 |
| logD: | 2.5068 |
| logSw: | -2.3431 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.741 |
| InChI Key: | FVVOESGDHHTPII-IBGZPJMESA-N |