ethyl 3-benzyl-5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-benzyl-5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-benzyl-5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0075 |
| Compound Name: | ethyl 3-benzyl-5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 464.6 |
| Molecular Formula: | C25 H24 N2 O3 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3ccccc3)C(=Nc2s1)SCc1ccccc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.366 |
| logD: | 6.366 |
| logSw: | -5.5814 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.427 |
| InChI Key: | QBABGJZADODMDF-UHFFFAOYSA-N |