ethyl 3-[2-(4-chlorophenyl)ethyl]-2-[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-[2-(4-chlorophenyl)ethyl]-2-[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-[2-(4-chlorophenyl)ethyl]-2-[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0366 |
| Compound Name: | ethyl 3-[2-(4-chlorophenyl)ethyl]-2-[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 590.55 |
| Molecular Formula: | C27 H25 Cl2 N3 O4 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(CCc3ccc(cc3)[Cl])C(=Nc2s1)SCC(NCc1ccccc1[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1209 |
| logD: | 6.1209 |
| logSw: | -6.1242 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.877 |
| InChI Key: | LBEMJPFRDYVYHB-UHFFFAOYSA-N |