3-(3-chloro-4-methoxyphenyl)-N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Chemical Structure Depiction of
3-(3-chloro-4-methoxyphenyl)-N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-oxo-3,4-dihydrophthalazine-1-carboxamide
3-(3-chloro-4-methoxyphenyl)-N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Compound characteristics
| Compound ID: | C066-0491 |
| Compound Name: | 3-(3-chloro-4-methoxyphenyl)-N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-oxo-3,4-dihydrophthalazine-1-carboxamide |
| Molecular Weight: | 549.99 |
| Molecular Formula: | C28 H25 Cl F N5 O4 |
| Smiles: | COc1ccc(cc1[Cl])N1C(c2ccccc2C(C(NCC(N2CCN(CC2)c2ccc(cc2)F)=O)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4368 |
| logD: | 3.4368 |
| logSw: | -3.8367 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.744 |
| InChI Key: | FWWIJEZEROOLSJ-UHFFFAOYSA-N |