N-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-oxoisoquinolin-2(1H)-yl}-3,5-dimethoxybenzamide
Chemical Structure Depiction of
N-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-oxoisoquinolin-2(1H)-yl}-3,5-dimethoxybenzamide
N-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-oxoisoquinolin-2(1H)-yl}-3,5-dimethoxybenzamide
Compound characteristics
| Compound ID: | C125-1290 |
| Compound Name: | N-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-oxoisoquinolin-2(1H)-yl}-3,5-dimethoxybenzamide |
| Molecular Weight: | 530.56 |
| Molecular Formula: | C29 H27 F N4 O5 |
| Smiles: | COc1cc(cc(c1)OC)C(NN1C=C(C(N2CCN(CC2)c2ccccc2F)=O)c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2522 |
| logD: | 3.252 |
| logSw: | -3.8161 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.756 |
| InChI Key: | YRZAKNQEPFDQJX-UHFFFAOYSA-N |