ethyl 2-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-oxo-3,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6(2H)-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-oxo-3,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6(2H)-carboxylate
ethyl 2-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-oxo-3,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6(2H)-carboxylate
Compound characteristics
| Compound ID: | S349-0358 |
| Compound Name: | ethyl 2-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-oxo-3,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6(2H)-carboxylate |
| Molecular Weight: | 428.44 |
| Molecular Formula: | C21 H24 N4 O6 |
| Smiles: | CCOC(c1ccc(cc1)NC(CN1C(C=C2CN(CCC2=N1)C(=O)OCC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1992 |
| logD: | 2.1992 |
| logSw: | -2.7526 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.85 |
| InChI Key: | HFVHSRQMWSHIFB-UHFFFAOYSA-N |