ethyl 4,5-dimethyl-2-{[1-(4-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4,5-dimethyl-2-{[1-(4-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}thiophene-3-carboxylate
ethyl 4,5-dimethyl-2-{[1-(4-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}thiophene-3-carboxylate
Compound characteristics
| Compound ID: | D223-0543 |
| Compound Name: | ethyl 4,5-dimethyl-2-{[1-(4-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}thiophene-3-carboxylate |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | [H]N(C(C1C(C=CN(c2ccc(C)cc2)N=1)=O)=O)c1c(C(=O)OCC)c(C)c(C)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.9449 |
| logD: | -1.6094 |
| logSw: | -4.1399 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.288 |
| InChI Key: | BXCBJKWRWOXEGG-UHFFFAOYSA-N |