1-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-2-(4-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
1-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-2-(4-fluorophenyl)ethan-1-one
1-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-2-(4-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | G680-0396 |
| Compound Name: | 1-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-2-(4-fluorophenyl)ethan-1-one |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C22 H22 F N3 O3 S |
| Smiles: | Cc1c(c(C)n(C(Cc2ccc(cc2)F)=O)n1)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7558 |
| logD: | 2.7499 |
| logSw: | -3.0432 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.698 |
| InChI Key: | MECCTCTVXIMXIM-UHFFFAOYSA-N |