N-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-4-(4-nitrophenyl)piperazine-1-carboxamide
Chemical Structure Depiction of
N-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-4-(4-nitrophenyl)piperazine-1-carboxamide
N-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-4-(4-nitrophenyl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | E679-0339 |
| Compound Name: | N-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-4-(4-nitrophenyl)piperazine-1-carboxamide |
| Molecular Weight: | 407.43 |
| Molecular Formula: | C21 H21 N5 O4 |
| Smiles: | CN1C=C(c2ccccc2C1=O)NC(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1215 |
| logD: | 2.1069 |
| logSw: | -3.0732 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.261 |
| InChI Key: | CONWNIHSPFNHLT-UHFFFAOYSA-N |