3-[2-(4-chlorophenyl)ethyl]-2-{[(2-cyanophenyl)methyl]sulfanyl}-N,N,5-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-[2-(4-chlorophenyl)ethyl]-2-{[(2-cyanophenyl)methyl]sulfanyl}-N,N,5-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
3-[2-(4-chlorophenyl)ethyl]-2-{[(2-cyanophenyl)methyl]sulfanyl}-N,N,5-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K285-5149 |
| Compound Name: | 3-[2-(4-chlorophenyl)ethyl]-2-{[(2-cyanophenyl)methyl]sulfanyl}-N,N,5-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 523.07 |
| Molecular Formula: | C26 H23 Cl N4 O2 S2 |
| Smiles: | Cc1c2C(N(CCc3ccc(cc3)[Cl])C(=Nc2sc1C(N(C)C)=O)SCc1ccccc1C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6846 |
| logD: | 4.6846 |
| logSw: | -5.0652 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.708 |
| InChI Key: | JHJABUSOLQNOEX-UHFFFAOYSA-N |