1-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-2-(2-nitrophenoxy)ethan-1-one
Chemical Structure Depiction of
1-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-2-(2-nitrophenoxy)ethan-1-one
1-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-2-(2-nitrophenoxy)ethan-1-one
Compound characteristics
| Compound ID: | G680-0466 |
| Compound Name: | 1-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-2-(2-nitrophenoxy)ethan-1-one |
| Molecular Weight: | 470.5 |
| Molecular Formula: | C22 H22 N4 O6 S |
| Smiles: | Cc1c(c(C)n(C(COc2ccccc2[N+]([O-])=O)=O)n1)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1248 |
| logD: | 2.1248 |
| logSw: | -2.5319 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 99.364 |
| InChI Key: | XEKJPRUSZKNHCG-UHFFFAOYSA-N |