ethyl 2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-3-oxo-3,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6(2H)-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-3-oxo-3,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6(2H)-carboxylate
ethyl 2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-3-oxo-3,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6(2H)-carboxylate
Compound characteristics
| Compound ID: | S349-0418 |
| Compound Name: | ethyl 2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-3-oxo-3,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6(2H)-carboxylate |
| Molecular Weight: | 450.88 |
| Molecular Formula: | C20 H23 Cl N4 O6 |
| Smiles: | CCOC(N1CCC2C(C1)=CC(N(CC(Nc1cc(c(cc1OC)OC)[Cl])=O)N=2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8966 |
| logD: | 1.8926 |
| logSw: | -3.0357 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.659 |
| InChI Key: | SSZAGIYHOJRSGB-UHFFFAOYSA-N |