ethyl 5-acetyl-4-methyl-2-{[1-(4-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-acetyl-4-methyl-2-{[1-(4-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}thiophene-3-carboxylate
ethyl 5-acetyl-4-methyl-2-{[1-(4-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}thiophene-3-carboxylate
Compound characteristics
| Compound ID: | D223-0507 |
| Compound Name: | ethyl 5-acetyl-4-methyl-2-{[1-(4-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}thiophene-3-carboxylate |
| Molecular Weight: | 439.49 |
| Molecular Formula: | C22 H21 N3 O5 S |
| Smiles: | [H]N(C(C1C(C=CN(c2ccc(C)cc2)N=1)=O)=O)c1c(C(=O)OCC)c(C)c(C(C)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.2676 |
| logD: | -2.7968 |
| logSw: | -3.4343 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.115 |
| InChI Key: | AHJXZLVWSWZITG-UHFFFAOYSA-N |