methyl 4-{[1-(4-ethoxyphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[1-(4-ethoxyphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}benzoate
methyl 4-{[1-(4-ethoxyphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}benzoate
Compound characteristics
Compound ID: | D223-0235 |
Compound Name: | methyl 4-{[1-(4-ethoxyphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}benzoate |
Molecular Weight: | 393.4 |
Molecular Formula: | C21 H19 N3 O5 |
Smiles: | [H]N(C(C1C(C=CN(c2ccc(cc2)OCC)N=1)=O)=O)c1ccc(cc1)C(=O)OC |
Stereo: | ACHIRAL |
logP: | 3.3202 |
logD: | 3.1238 |
logSw: | -3.501 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 78.037 |
InChI Key: | ZURUOPZJTGWYBS-UHFFFAOYSA-N |