ethyl 3-benzyl-1-[2-(3-ethylanilino)-2-oxoethyl]-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-(3-ethylanilino)-2-oxoethyl]-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-(3-ethylanilino)-2-oxoethyl]-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: | C694-0174 |
| Compound Name: | ethyl 3-benzyl-1-[2-(3-ethylanilino)-2-oxoethyl]-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate |
| Molecular Weight: | 546.65 |
| Molecular Formula: | C29 H30 N4 O5 S |
| Smiles: | CCc1cccc(c1)NC(CN1C(N(Cc2ccccc2)C(c2c3CCN(Cc3sc12)C(=O)OCC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3669 |
| logD: | 5.3669 |
| logSw: | -5.382 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.502 |
| InChI Key: | ZNPKSTSTEWLLCI-UHFFFAOYSA-N |