ethyl 2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-3-phenyl-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Chemical Structure Depiction of
ethyl 2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-3-phenyl-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
ethyl 2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-3-phenyl-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Compound characteristics
| Compound ID: | C200-2069 |
| Compound Name: | ethyl 2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-3-phenyl-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate |
| Molecular Weight: | 529.57 |
| Molecular Formula: | C27 H23 N5 O5 S |
| Smiles: | CCOC(N1CCc2c3C(N(C(N(CC4=CC(N5C=CC=CC5=N4)=O)c3sc2C1)=O)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6176 |
| logD: | 2.6176 |
| logSw: | -2.8013 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.728 |
| InChI Key: | FRFXZIOCBXUXHL-UHFFFAOYSA-N |