N-(3-chloro-4-fluorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2(1H)-yl)acetamide
N-(3-chloro-4-fluorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | D262-0929 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2(1H)-yl)acetamide |
| Molecular Weight: | 411.86 |
| Molecular Formula: | C22 H19 Cl F N3 O2 |
| Smiles: | C1CCC2=C(C1)C(c1ccccc1)=NN(CC(Nc1ccc(c(c1)[Cl])F)=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 4.8671 |
| logD: | 4.8637 |
| logSw: | -5.0868 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.537 |
| InChI Key: | XEKRUAUETQDPFI-UHFFFAOYSA-N |