ethyl 3-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(3H)-carboxylate
Chemical Structure Depiction of
ethyl 3-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(3H)-carboxylate
ethyl 3-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(3H)-carboxylate
Compound characteristics
| Compound ID: | L392-1342 |
| Compound Name: | ethyl 3-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(3H)-carboxylate |
| Molecular Weight: | 498.94 |
| Molecular Formula: | C25 H24 Cl F N4 O4 |
| Smiles: | CCOC(N1CCC2=C(C1)N=C(c1ccc(C)cc1)N(CC(Nc1ccc(cc1[Cl])F)=O)C2=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8848 |
| logD: | 3.8778 |
| logSw: | -4.284 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.486 |
| InChI Key: | DHUCTPVDTOGFHA-UHFFFAOYSA-N |