2-[(4-benzyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(3-methylbutyl)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-methylbutyl)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-methylbutyl)acetamide
Compound characteristics
| Compound ID: | F798-0444 |
| 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-methylbutyl)acetamide |
| Molecular Weight: | 441.57 |
| Molecular Formula: | C21 H23 N5 O2 S2 |
| Smiles: | CC(C)CCNC(CSc1nnc2N(Cc3ccccc3)C(c3c(ccs3)n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6565 |
| logD: | 3.6565 |
| logSw: | -3.8792 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.915 |
| InChI Key: | CYRPLESHPYYGOS-UHFFFAOYSA-N |