ethyl 3-benzyl-2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-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-2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
ethyl 3-benzyl-2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Compound characteristics
| Compound ID: | C694-0143 |
| Compound Name: | ethyl 3-benzyl-2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate |
| Molecular Weight: | 543.6 |
| Molecular Formula: | C28 H25 N5 O5 S |
| Smiles: | CCOC(N1CCc2c3C(N(Cc4ccccc4)C(N(CC4=CC(N5C=CC=CC5=N4)=O)c3sc2C1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4393 |
| logD: | 3.4393 |
| logSw: | -3.7885 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.339 |
| InChI Key: | VYFFOFSTNMKGHC-UHFFFAOYSA-N |