4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-(3-methoxyphenyl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-(3-methoxyphenyl)isoquinolin-1(2H)-one
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-(3-methoxyphenyl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-2117 |
| Compound Name: | 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-(3-methoxyphenyl)isoquinolin-1(2H)-one |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C27 H24 F N3 O3 |
| Smiles: | COc1cccc(c1)N1C=C(C(N2CCN(CC2)c2ccc(cc2)F)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.7174 |
| logD: | 3.7174 |
| logSw: | -4.0721 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.207 |
| InChI Key: | AIMDVBYMZYTXJC-UHFFFAOYSA-N |