N-[2-(3-chloroanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Chemical Structure Depiction of
N-[2-(3-chloroanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
N-[2-(3-chloroanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Compound characteristics
| Compound ID: | C066-0590 |
| Compound Name: | N-[2-(3-chloroanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide |
| Molecular Weight: | 492.92 |
| Molecular Formula: | C25 H21 Cl N4 O5 |
| Smiles: | COc1ccc(cc1OC)N1C(c2ccccc2C(C(NCC(Nc2cccc(c2)[Cl])=O)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7069 |
| logD: | 3.7068 |
| logSw: | -4.0747 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.871 |
| InChI Key: | VDCMDCDOYJBUKB-UHFFFAOYSA-N |