ethyl N-[2-(4-fluorophenyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(1H)-carbonyl]-beta-alaninate
Chemical Structure Depiction of
ethyl N-[2-(4-fluorophenyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(1H)-carbonyl]-beta-alaninate
ethyl N-[2-(4-fluorophenyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(1H)-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | S020-2425 |
| Compound Name: | ethyl N-[2-(4-fluorophenyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(1H)-carbonyl]-beta-alaninate |
| Molecular Weight: | 388.4 |
| Molecular Formula: | C19 H21 F N4 O4 |
| Smiles: | CCOC(CCNC(N1CCC2=C(C1)NC(c1ccc(cc1)F)=NC2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3712 |
| logD: | -1.4741 |
| logSw: | -2.2497 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.666 |
| InChI Key: | XJRKWAPFMKAQSC-UHFFFAOYSA-N |