N-[(furan-2-yl)methyl]-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[(furan-2-yl)methyl]-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | 8008-2958 |
Compound Name: | N-[(furan-2-yl)methyl]-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
Molecular Weight: | 420.49 |
Molecular Formula: | C22 H20 N4 O3 S |
Smiles: | COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(NCc1ccco1)=O |
Stereo: | ACHIRAL |
logP: | 4.0803 |
logD: | 4.0803 |
logSw: | -4.214 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.477 |
InChI Key: | YXXNRAVZJLLDRW-UHFFFAOYSA-N |