ethyl 2-{[1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}-1,3-benzothiazole-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}-1,3-benzothiazole-6-carboxylate
ethyl 2-{[1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}-1,3-benzothiazole-6-carboxylate
Compound characteristics
| Compound ID: | D223-0684 |
| Compound Name: | ethyl 2-{[1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}-1,3-benzothiazole-6-carboxylate |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C22 H18 N4 O4 S |
| Smiles: | [H]N(C(C1C(C=CN(c2cccc(C)c2)N=1)=O)=O)c1nc2ccc(cc2s1)C(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 4.7937 |
| logD: | 4.6505 |
| logSw: | -4.5488 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.255 |
| InChI Key: | JHMOHMKQKYCRMD-UHFFFAOYSA-N |