ethyl 2-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-3-oxo-3,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6(2H)-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-3-oxo-3,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6(2H)-carboxylate
ethyl 2-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-3-oxo-3,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6(2H)-carboxylate
Compound characteristics
| Compound ID: | S349-0482 |
| Compound Name: | ethyl 2-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-3-oxo-3,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6(2H)-carboxylate |
| Molecular Weight: | 449.3 |
| Molecular Formula: | C19 H21 Br N4 O4 |
| Smiles: | CCOC(N1CCC2C(C1)=CC(N(CC(Nc1ccc(c(C)c1)[Br])=O)N=2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7724 |
| logD: | 2.7723 |
| logSw: | -3.0088 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.096 |
| InChI Key: | HXHLPRNYOABNDT-UHFFFAOYSA-N |