4-(diethylamino)-N-{4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-oxoisoquinolin-2(1H)-yl}benzamide
Chemical Structure Depiction of
4-(diethylamino)-N-{4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-oxoisoquinolin-2(1H)-yl}benzamide
4-(diethylamino)-N-{4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-oxoisoquinolin-2(1H)-yl}benzamide
Compound characteristics
| Compound ID: | C125-1202 |
| Compound Name: | 4-(diethylamino)-N-{4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-oxoisoquinolin-2(1H)-yl}benzamide |
| Molecular Weight: | 541.63 |
| Molecular Formula: | C31 H32 F N5 O3 |
| Smiles: | CCN(CC)c1ccc(cc1)C(NN1C=C(C(N2CCN(CC2)c2ccc(cc2)F)=O)c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7694 |
| logD: | 3.7628 |
| logSw: | -3.9562 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.706 |
| InChI Key: | FKNMQCULSWQWES-UHFFFAOYSA-N |