N-ethyl-N-(2-ethylphenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-ethyl-N-(2-ethylphenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
N-ethyl-N-(2-ethylphenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | C265-0604 |
| Compound Name: | N-ethyl-N-(2-ethylphenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide |
| Molecular Weight: | 576.69 |
| Molecular Formula: | C31 H33 F N4 O4 S |
| Smiles: | CCc1ccccc1N(CC)C(CN1C=C(c2ccccc2C1=O)S(N1CCN(CC1)c1ccccc1F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3634 |
| logD: | 4.3634 |
| logSw: | -4.2559 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.661 |
| InChI Key: | IAIYJUIUMPSFNA-UHFFFAOYSA-N |