ethyl 3-(4-chlorophenyl)-2,4-dioxo-1-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-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-chlorophenyl)-2,4-dioxo-1-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
ethyl 3-(4-chlorophenyl)-2,4-dioxo-1-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Compound characteristics
| Compound ID: | C694-0065 |
| Compound Name: | ethyl 3-(4-chlorophenyl)-2,4-dioxo-1-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate |
| Molecular Weight: | 547.03 |
| Molecular Formula: | C25 H27 Cl N4 O6 S |
| Smiles: | CCOC(N1CCc2c3C(N(C(N(CC(NCC4CCCO4)=O)c3sc2C1)=O)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5042 |
| logD: | 2.5042 |
| logSw: | -3.6116 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.867 |
| InChI Key: | STBCRPGHSFFMHE-QGZVFWFLSA-N |