N-(2-ethylphenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-methylacetamide
Chemical Structure Depiction of
N-(2-ethylphenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-methylacetamide
N-(2-ethylphenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-methylacetamide
Compound characteristics
| Compound ID: | C265-0595 |
| Compound Name: | N-(2-ethylphenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-methylacetamide |
| Molecular Weight: | 562.66 |
| Molecular Formula: | C30 H31 F N4 O4 S |
| Smiles: | CCc1ccccc1N(C)C(CN1C=C(c2ccccc2C1=O)S(N1CCN(CC1)c1ccccc1F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8325 |
| logD: | 3.8325 |
| logSw: | -3.8712 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.683 |
| InChI Key: | GEBQHZSRHRAKMS-UHFFFAOYSA-N |