4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(3-methoxyphenyl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(3-methoxyphenyl)isoquinolin-1(2H)-one
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(3-methoxyphenyl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-2075 |
| Compound Name: | 4-[4-(2-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)c2ccccc2F)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.7453 |
| logD: | 3.7453 |
| logSw: | -4.1257 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.906 |
| InChI Key: | BMUNVKIZHFAEIL-UHFFFAOYSA-N |