N-(3-chloro-4-fluorophenyl)-3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
N-(3-chloro-4-fluorophenyl)-3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Compound characteristics
| Compound ID: | C066-0828 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide |
| Molecular Weight: | 458.27 |
| Molecular Formula: | C22 H14 Cl2 F N3 O3 |
| Smiles: | COc1ccc(cc1[Cl])N1C(c2ccccc2C(C(Nc2ccc(c(c2)[Cl])F)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8383 |
| logD: | 4.3835 |
| logSw: | -4.9955 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.769 |
| InChI Key: | KCOCBOBFHCULPK-UHFFFAOYSA-N |