N-benzyl-2-{[7-(4-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[7-(4-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
N-benzyl-2-{[7-(4-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | G802-0250 |
Compound Name: | N-benzyl-2-{[7-(4-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide |
Molecular Weight: | 421.48 |
Molecular Formula: | C21 H19 N5 O3 S |
Smiles: | COc1ccc(cc1)N1C=Cn2c(C1=O)nnc2SCC(NCc1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 1.3995 |
logD: | 1.3995 |
logSw: | -2.0292 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 70.717 |
InChI Key: | FMHXWWMUXJPCOH-UHFFFAOYSA-N |