ethyl 1-[(1H-benzimidazol-2-yl)methyl]-3-(4-chlorophenyl)-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-[(1H-benzimidazol-2-yl)methyl]-3-(4-chlorophenyl)-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
ethyl 1-[(1H-benzimidazol-2-yl)methyl]-3-(4-chlorophenyl)-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: | K305-0506 |
| Compound Name: | ethyl 1-[(1H-benzimidazol-2-yl)methyl]-3-(4-chlorophenyl)-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate |
| Molecular Weight: | 536.01 |
| Molecular Formula: | C26 H22 Cl N5 O4 S |
| Smiles: | CCOC(N1CCc2c3C(N(C(N(Cc4nc5ccccc5[nH]4)c3sc2C1)=O)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6669 |
| logD: | 4.6669 |
| logSw: | -5.0232 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.023 |
| InChI Key: | IJLGFPXBAOPIQK-UHFFFAOYSA-N |