ethyl 1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)-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 1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
ethyl 1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)-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: | C694-0046 |
| Compound Name: | ethyl 1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate |
| Molecular Weight: | 531.96 |
| Molecular Formula: | C25 H20 Cl F2 N3 O4 S |
| Smiles: | CCOC(N1CCc2c3C(N(C(N(Cc4ccc(cc4[Cl])F)c3sc2C1)=O)c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2242 |
| logD: | 5.2242 |
| logSw: | -6.0257 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.741 |
| InChI Key: | FRQQXIMXUNXMET-UHFFFAOYSA-N |