ethyl 5-acetyl-2-{[1-(4-chlorophenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}-4-methylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-acetyl-2-{[1-(4-chlorophenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}-4-methylthiophene-3-carboxylate
ethyl 5-acetyl-2-{[1-(4-chlorophenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}-4-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | D223-0894 |
| Compound Name: | ethyl 5-acetyl-2-{[1-(4-chlorophenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}-4-methylthiophene-3-carboxylate |
| Molecular Weight: | 459.91 |
| Molecular Formula: | C21 H18 Cl N3 O5 S |
| Smiles: | [H]N(C(C1C(C=CN(c2ccc(cc2)[Cl])N=1)=O)=O)c1c(C(=O)OCC)c(C)c(C(C)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.4389 |
| logD: | -2.6255 |
| logSw: | -4.3268 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.115 |
| InChI Key: | SBPWCBDMXGCTDX-UHFFFAOYSA-N |