N-(2H-1,3-benzodioxol-5-yl)-2-[(4-benzyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[(4-benzyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(4-benzyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | F798-0438 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(4-benzyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide |
| Molecular Weight: | 491.55 |
| Molecular Formula: | C23 H17 N5 O4 S2 |
| Smiles: | C(c1ccccc1)N1C(c2c(ccs2)n2c1nnc2SCC(Nc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9406 |
| logD: | 3.9406 |
| logSw: | -4.1233 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.595 |
| InChI Key: | CAEQHKIJPBUQDB-UHFFFAOYSA-N |