ethyl 3-benzyl-5-methyl-2-[4-(methylsulfanyl)phenyl]-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate
Chemical Structure Depiction of
ethyl 3-benzyl-5-methyl-2-[4-(methylsulfanyl)phenyl]-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate
ethyl 3-benzyl-5-methyl-2-[4-(methylsulfanyl)phenyl]-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate
Compound characteristics
| Compound ID: | 5205-0011 |
| Compound Name: | ethyl 3-benzyl-5-methyl-2-[4-(methylsulfanyl)phenyl]-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate |
| Molecular Weight: | 452.59 |
| Molecular Formula: | C24 H24 N2 O3 S2 |
| Smiles: | CCOC(c1c2c(C(N(Cc3ccccc3)C(c3ccc(cc3)SC)N2)=O)c(C)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1415 |
| logD: | 5.1414 |
| logSw: | -5.1386 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.863 |
| InChI Key: | CKHYXULGLWBZDM-JOCHJYFZSA-N |