ethyl 1-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-2,4-dioxo-3-phenyl-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-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-2,4-dioxo-3-phenyl-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
ethyl 1-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-2,4-dioxo-3-phenyl-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Compound characteristics
| Compound ID: | C200-2068 |
| Compound Name: | ethyl 1-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-2,4-dioxo-3-phenyl-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate |
| Molecular Weight: | 576.63 |
| Molecular Formula: | C29 H28 N4 O7 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CN1C(N(C(c2c3CCN(Cc3sc12)C(=O)OCC)=O)c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3561 |
| logD: | 4.3561 |
| logSw: | -4.2832 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.644 |
| InChI Key: | BZQFVHJJUCHWAP-UHFFFAOYSA-N |