(3,4-dihydroisoquinolin-2(1H)-yl)(1-{[(2S)-1-(oxan-4-yl)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-(oxan-4-yl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methanone
(3,4-dihydroisoquinolin-2(1H)-yl)(1-{[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methanone
Compound characteristics
| Compound ID: | SB20-0799 |
| Compound Name: | (3,4-dihydroisoquinolin-2(1H)-yl)(1-{[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methanone |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C22 H29 N5 O2 |
| Smiles: | C1C[C@@H](Cn2cc(C(N3CCc4ccccc4C3)=O)nn2)N(C1)C1CCOCC1 |
| Stereo: | ABSOLUTE |
| logP: | 2.0887 |
| logD: | 1.1628 |
| logSw: | -2.2033 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.268 |
| InChI Key: | FABJUHFGAXLRGF-FQEVSTJZSA-N |