1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | C226-4144 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 332.38 |
| Molecular Formula: | C15 H16 N4 O3 S |
| Smiles: | Cc1c(c([nH]n1)SCC(N1CCc2ccccc2C1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4257 |
| logD: | 2.4151 |
| logSw: | -2.5816 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.271 |
| InChI Key: | AKZXXMXRSRLLGG-UHFFFAOYSA-N |