N-(1-methyl-1H-pyrazol-4-yl)-1-oxo-2-(3,4,5-trifluorophenyl)-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(1-methyl-1H-pyrazol-4-yl)-1-oxo-2-(3,4,5-trifluorophenyl)-1,2-dihydroisoquinoline-4-carboxamide
N-(1-methyl-1H-pyrazol-4-yl)-1-oxo-2-(3,4,5-trifluorophenyl)-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y042-6003 |
| Compound Name: | N-(1-methyl-1H-pyrazol-4-yl)-1-oxo-2-(3,4,5-trifluorophenyl)-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 398.34 |
| Molecular Formula: | C20 H13 F3 N4 O2 |
| Smiles: | Cn1cc(cn1)NC(C1=CN(C(c2ccccc12)=O)c1cc(c(c(c1)F)F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2385 |
| logD: | 2.1822 |
| logSw: | -3.0524 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.655 |
| InChI Key: | VXZWNOUJPBILPS-UHFFFAOYSA-N |