N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | J047-0279 |
Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
Molecular Weight: | 422.46 |
Molecular Formula: | C21 H18 N4 O4 S |
Smiles: | CCn1c(c2cc3ccccc3o2)nnc1SCC(Nc1ccc2c(c1)OCO2)=O |
Stereo: | ACHIRAL |
logP: | 4.2983 |
logD: | 4.2983 |
logSw: | -4.2947 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 72.523 |
InChI Key: | RAGOWFNLDXVNGG-UHFFFAOYSA-N |