ethyl 3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0332 |
| Compound Name: | ethyl 3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 513.03 |
| Molecular Formula: | C25 H21 Cl N2 O4 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3cccc(c3)[Cl])C(=Nc2s1)SCC(c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6414 |
| logD: | 5.6414 |
| logSw: | -5.9107 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.674 |
| InChI Key: | IZGTXUPKXJVLFF-UHFFFAOYSA-N |