2-{[(6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}acetamide
Chemical Structure Depiction of
2-{[(6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}acetamide
2-{[(6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}acetamide
Compound characteristics
| Compound ID: | Y042-4562 |
| Compound Name: | 2-{[(6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}acetamide |
| Molecular Weight: | 426.52 |
| Molecular Formula: | C19 H18 N6 O2 S2 |
| Smiles: | Cc1cc2C(NC(CSCC(Nc3ccc(Cn4cncn4)cc3)=O)=Nc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9146 |
| logD: | 1.9142 |
| logSw: | -2.849 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.929 |
| InChI Key: | HUAOFHYTDJXAOL-UHFFFAOYSA-N |