methyl 2-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
methyl 2-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0091 |
| Compound Name: | methyl 2-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 487.23 |
| Molecular Formula: | C18 H14 Br F3 N4 O4 |
| Smiles: | Cc1c(c(C(F)(F)F)nn1CC(NN1C=C(C(=O)OC)c2ccccc2C1=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.4492 |
| logD: | 1.4481 |
| logSw: | -2.2903 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.769 |
| InChI Key: | HNIJVISHIZXUFY-UHFFFAOYSA-N |