ethyl 2-{[1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}-4-phenylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}-4-phenylthiophene-3-carboxylate
ethyl 2-{[1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}-4-phenylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | D223-0596 |
| Compound Name: | ethyl 2-{[1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}-4-phenylthiophene-3-carboxylate |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C25 H21 N3 O4 S |
| Smiles: | [H]N(C(C1C(C=CN(c2cccc(C)c2)N=1)=O)=O)c1c(C(=O)OCC)c(cs1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8688 |
| logD: | 2.9687 |
| logSw: | -4.6723 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.017 |
| InChI Key: | BENNYFDSNXLPEB-UHFFFAOYSA-N |