ethyl 4-({4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetyl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-({4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetyl)piperazine-1-carboxylate
ethyl 4-({4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C265-0542 |
| Compound Name: | ethyl 4-({4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetyl)piperazine-1-carboxylate |
| Molecular Weight: | 585.65 |
| Molecular Formula: | C28 H32 F N5 O6 S |
| Smiles: | CCOC(N1CCN(CC1)C(CN1C=C(c2ccccc2C1=O)S(N1CCN(CC1)c1ccccc1F)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8635 |
| logD: | 1.8635 |
| logSw: | -2.7319 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 90.043 |
| InChI Key: | HYGUVLXGNNHLDI-UHFFFAOYSA-N |