(3,4-dihydroisoquinolin-2(1H)-yl)[1-({(2S)-1-[(thiophen-3-yl)methyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazol-4-yl]methanone
Chemical Structure Depiction of
(3,4-dihydroisoquinolin-2(1H)-yl)[1-({(2S)-1-[(thiophen-3-yl)methyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazol-4-yl]methanone
(3,4-dihydroisoquinolin-2(1H)-yl)[1-({(2S)-1-[(thiophen-3-yl)methyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazol-4-yl]methanone
Compound characteristics
| Compound ID: | SB20-0832 |
| Compound Name: | (3,4-dihydroisoquinolin-2(1H)-yl)[1-({(2S)-1-[(thiophen-3-yl)methyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazol-4-yl]methanone |
| Molecular Weight: | 407.54 |
| Molecular Formula: | C22 H25 N5 O S |
| Smiles: | C1C[C@@H](Cn2cc(C(N3CCc4ccccc4C3)=O)nn2)N(C1)Cc1ccsc1 |
| Stereo: | ABSOLUTE |
| logP: | 2.883 |
| logD: | 2.2524 |
| logSw: | -2.9693 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.991 |
| InChI Key: | DFOKEMVCMIUOQV-FQEVSTJZSA-N |