ethyl 3-(4-ethylphenyl)-1-[2-(4-fluorophenyl)-2-oxoethyl]-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Chemical Structure Depiction of
ethyl 3-(4-ethylphenyl)-1-[2-(4-fluorophenyl)-2-oxoethyl]-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
ethyl 3-(4-ethylphenyl)-1-[2-(4-fluorophenyl)-2-oxoethyl]-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Compound characteristics
| Compound ID: | C694-0092 |
| Compound Name: | ethyl 3-(4-ethylphenyl)-1-[2-(4-fluorophenyl)-2-oxoethyl]-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate |
| Molecular Weight: | 535.59 |
| Molecular Formula: | C28 H26 F N3 O5 S |
| Smiles: | CCc1ccc(cc1)N1C(c2c3CCN(Cc3sc2N(CC(c2ccc(cc2)F)=O)C1=O)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7796 |
| logD: | 4.7796 |
| logSw: | -4.6336 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.988 |
| InChI Key: | ZPUPIAATRWWOLJ-UHFFFAOYSA-N |