diethyl 5-{[1-(4-chlorophenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-{[1-(4-chlorophenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
diethyl 5-{[1-(4-chlorophenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | D223-0892 |
| Compound Name: | diethyl 5-{[1-(4-chlorophenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 489.93 |
| Molecular Formula: | C22 H20 Cl N3 O6 S |
| Smiles: | [H]N(C(C1C(C=CN(c2ccc(cc2)[Cl])N=1)=O)=O)c1c(C(=O)OCC)c(C)c(C(=O)OCC)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0419 |
| logD: | -1.2925 |
| logSw: | -4.7912 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.042 |
| InChI Key: | CBBLDESJTPLLID-UHFFFAOYSA-N |