N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-4-(pyridin-2-yl)piperazine-1-carboxamide
Chemical Structure Depiction of
N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-4-(pyridin-2-yl)piperazine-1-carboxamide
N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-4-(pyridin-2-yl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | E942-0071 |
| Compound Name: | N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-4-(pyridin-2-yl)piperazine-1-carboxamide |
| Molecular Weight: | 405.5 |
| Molecular Formula: | C23 H27 N5 O2 |
| Smiles: | CC(C)CN1C=C(c2ccccc2C1=O)NC(N1CCN(CC1)c1ccccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3012 |
| logD: | 3.2785 |
| logSw: | -3.747 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.676 |
| InChI Key: | IIBXOZJQFUNDDN-UHFFFAOYSA-N |