ethyl 3-benzyl-1-[(2-chloro-4-fluorophenyl)methyl]-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-chloro-4-fluorophenyl)methyl]-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-chloro-4-fluorophenyl)methyl]-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: | C694-0181 |
| Compound Name: | ethyl 3-benzyl-1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate |
| Molecular Weight: | 528 |
| Molecular Formula: | C26 H23 Cl F N3 O4 S |
| Smiles: | CCOC(N1CCc2c3C(N(Cc4ccccc4)C(N(Cc4ccc(cc4[Cl])F)c3sc2C1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8953 |
| logD: | 5.8953 |
| logSw: | -6.1372 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.353 |
| InChI Key: | XBCIUVZQLKOCEA-UHFFFAOYSA-N |