N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2-(2-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2-(2-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2-(2-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C033-0462 |
| Compound Name: | N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2-(2-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 514.56 |
| Molecular Formula: | C29 H27 F N4 O4 |
| Smiles: | COc1ccccc1N1C=C(C(NCC(N2CCN(CC2)c2ccccc2F)=O)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.7504 |
| logD: | 2.7503 |
| logSw: | -3.4945 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.849 |
| InChI Key: | HGAZWUPHWVOGMJ-UHFFFAOYSA-N |