2-benzyl-N-(1-methyl-1H-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-benzyl-N-(1-methyl-1H-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
2-benzyl-N-(1-methyl-1H-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y042-5312 |
| Compound Name: | 2-benzyl-N-(1-methyl-1H-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 358.4 |
| Molecular Formula: | C21 H18 N4 O2 |
| Smiles: | Cn1cc(cn1)NC(C1=CN(Cc2ccccc2)C(c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.673 |
| logD: | 1.4126 |
| logSw: | -2.5298 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.1 |
| InChI Key: | VTTHLQZKGGQAGE-UHFFFAOYSA-N |