ethyl 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0417 |
| Compound Name: | ethyl 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 541.13 |
| Molecular Formula: | C28 H29 Cl N2 O3 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3ccccc3[Cl])C(=Nc2s1)SCc1ccc(cc1)C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.5667 |
| logD: | 7.5667 |
| logSw: | -6.4749 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.427 |
| InChI Key: | LUXOXYJDMLHNLY-UHFFFAOYSA-N |