2-[(4-benzyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-[(4-benzyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide
2-[(4-benzyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | F798-0416 |
| Compound Name: | 2-[(4-benzyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide |
| Molecular Weight: | 475.59 |
| Molecular Formula: | C24 H21 N5 O2 S2 |
| Smiles: | Cc1ccc(cc1C)NC(CSc1nnc2N(Cc3ccccc3)C(c3c(ccs3)n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.095 |
| logD: | 5.095 |
| logSw: | -4.8421 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.48 |
| InChI Key: | JEQPMQQVJFSBNR-UHFFFAOYSA-N |