ethyl 1-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-3-(2-phenylethyl)-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-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-3-(2-phenylethyl)-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
ethyl 1-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-3-(2-phenylethyl)-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Compound characteristics
| Compound ID: | C694-0213 |
| Compound Name: | ethyl 1-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-3-(2-phenylethyl)-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: | CCOC(N1CCc2c3C(N(CCc4ccccc4)C(N(CC(Nc4ccccc4C)=O)c3sc2C1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5254 |
| logD: | 4.5254 |
| logSw: | -4.376 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.783 |
| InChI Key: | WNFBCEKLBUMHTM-UHFFFAOYSA-N |