methyl 2-{[3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carbonyl]amino}benzoate
methyl 2-{[3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | K979-1116 |
| Compound Name: | methyl 2-{[3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carbonyl]amino}benzoate |
| Molecular Weight: | 459.46 |
| Molecular Formula: | C25 H21 N3 O6 |
| Smiles: | COC(c1ccccc1NC(C1c2ccccc2C(N(c2cc(cc(c2)OC)OC)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.031 |
| logD: | 3.4133 |
| logSw: | -4.2625 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.702 |
| InChI Key: | PTFMWFLCTCKHTB-UHFFFAOYSA-N |