N-[4-(4-benzylpiperidine-1-carbonyl)-1-oxoisoquinolin-2(1H)-yl]-3,5-dimethoxybenzamide
Chemical Structure Depiction of
N-[4-(4-benzylpiperidine-1-carbonyl)-1-oxoisoquinolin-2(1H)-yl]-3,5-dimethoxybenzamide
N-[4-(4-benzylpiperidine-1-carbonyl)-1-oxoisoquinolin-2(1H)-yl]-3,5-dimethoxybenzamide
Compound characteristics
| Compound ID: | C125-1306 |
| Compound Name: | N-[4-(4-benzylpiperidine-1-carbonyl)-1-oxoisoquinolin-2(1H)-yl]-3,5-dimethoxybenzamide |
| Molecular Weight: | 525.6 |
| Molecular Formula: | C31 H31 N3 O5 |
| Smiles: | COc1cc(cc(c1)OC)C(NN1C=C(C(N2CCC(CC2)Cc2ccccc2)=O)c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4092 |
| logD: | 4.4091 |
| logSw: | -4.443 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.525 |
| InChI Key: | ASJVAZNDLBMBEX-UHFFFAOYSA-N |