ethyl 3-(4-chlorophenyl)-2,4-dioxo-1-[(pyridin-3-yl)methyl]-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-[(pyridin-3-yl)methyl]-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-[(pyridin-3-yl)methyl]-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Compound characteristics
| Compound ID: | K305-0505 |
| Compound Name: | ethyl 3-(4-chlorophenyl)-2,4-dioxo-1-[(pyridin-3-yl)methyl]-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate |
| Molecular Weight: | 496.97 |
| Molecular Formula: | C24 H21 Cl N4 O4 S |
| Smiles: | CCOC(N1CCc2c3C(N(C(N(Cc4cccnc4)c3sc2C1)=O)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7519 |
| logD: | 3.7511 |
| logSw: | -4.73 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.259 |
| InChI Key: | BUAKXCOJQHDSIN-UHFFFAOYSA-N |