ethyl 3-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-(4-fluorophenyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(3H)-carboxylate
Chemical Structure Depiction of
ethyl 3-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-(4-fluorophenyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(3H)-carboxylate
ethyl 3-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-(4-fluorophenyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(3H)-carboxylate
Compound characteristics
| Compound ID: | L392-1558 |
| Compound Name: | ethyl 3-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-(4-fluorophenyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(3H)-carboxylate |
| Molecular Weight: | 492.55 |
| Molecular Formula: | C27 H29 F N4 O4 |
| Smiles: | CCc1cccc(C)c1NC(CN1C(c2ccc(cc2)F)=NC2CN(CCC=2C1=O)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.726 |
| logD: | 3.7258 |
| logSw: | -3.8737 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.788 |
| InChI Key: | KXMRVMQNCARLSS-UHFFFAOYSA-N |