ethyl 2-{[1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D223-0593 |
| Compound Name: | ethyl 2-{[1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C23 H23 N3 O4 S |
| Smiles: | [H]N(C(C1C(C=CN(c2cccc(C)c2)N=1)=O)=O)c1c(C(=O)OCC)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.4468 |
| logD: | -1.0662 |
| logSw: | -4.4103 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.209 |
| InChI Key: | TVLDAAYTOZCSMD-UHFFFAOYSA-N |