ethyl 3-benzyl-1-[2-(2-fluoroanilino)-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-benzyl-1-[2-(2-fluoroanilino)-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-benzyl-1-[2-(2-fluoroanilino)-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: | C694-0172 |
| Compound Name: | ethyl 3-benzyl-1-[2-(2-fluoroanilino)-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: | 536.58 |
| Molecular Formula: | C27 H25 F N4 O5 S |
| Smiles: | CCOC(N1CCc2c3C(N(Cc4ccccc4)C(N(CC(Nc4ccccc4F)=O)c3sc2C1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3565 |
| logD: | 4.3564 |
| logSw: | -4.2952 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.804 |
| InChI Key: | ALZBWJVQCDDANU-UHFFFAOYSA-N |