(1-{[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
Chemical Structure Depiction of
(1-{[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
(1-{[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
Compound characteristics
| Compound ID: | SB20-1085 |
| Compound Name: | (1-{[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone |
| Molecular Weight: | 393.49 |
| Molecular Formula: | C22 H27 N5 O2 |
| Smiles: | C1CC(C1)C(N1CCC[C@H]1Cn1cc(C(N2CCc3ccccc3C2)=O)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.7825 |
| logD: | 1.7825 |
| logSw: | -2.0506 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.245 |
| InChI Key: | PUDNNVAUQXDSDZ-IBGZPJMESA-N |