2-{[(5,6-dimethyl-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-{[(5,6-dimethyl-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-{[(5,6-dimethyl-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: | Y042-4262 |
| Compound Name: | 2-{[(5,6-dimethyl-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: | 440.54 |
| Molecular Formula: | C20 H20 N6 O2 S2 |
| Smiles: | Cc1c2C(NC(CSCC(Nc3ccc(Cn4cncn4)cc3)=O)=Nc2sc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2726 |
| logD: | 2.2723 |
| logSw: | -2.6289 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.929 |
| InChI Key: | AEPDVWBSNWUYED-UHFFFAOYSA-N |