1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl]propan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl]propan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl]propan-1-one
Compound characteristics
| Compound ID: | G402-0089 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl]propan-1-one |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C21 H28 N4 O3 S |
| Smiles: | Cc1c(c(C)n(CCC(N2CCc3ccccc3C2)=O)n1)S(N1CCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4559 |
| logD: | 1.4559 |
| logSw: | -2.2808 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.63 |
| InChI Key: | HZKSJEVHRZQVCK-UHFFFAOYSA-N |