2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-(3,4,5-trimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-(3,4,5-trimethoxyphenyl)acetamide
2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-(3,4,5-trimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C265-0498 |
| Compound Name: | 2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-(3,4,5-trimethoxyphenyl)acetamide |
| Molecular Weight: | 610.66 |
| Molecular Formula: | C30 H31 F N4 O7 S |
| Smiles: | COc1cc(cc(c1OC)OC)NC(CN1C=C(c2ccccc2C1=O)S(N1CCN(CC1)c1ccccc1F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7566 |
| logD: | 2.7564 |
| logSw: | -3.6238 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.998 |
| InChI Key: | CFBVTVFPAZMBAA-UHFFFAOYSA-N |