N-cyclohexyl-2-({6-[(4-methylphenyl)methyl]-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-cyclohexyl-2-({6-[(4-methylphenyl)methyl]-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)acetamide
N-cyclohexyl-2-({6-[(4-methylphenyl)methyl]-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)acetamide
Compound characteristics
Compound ID: | G856-8030 |
Compound Name: | N-cyclohexyl-2-({6-[(4-methylphenyl)methyl]-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)acetamide |
Molecular Weight: | 412.51 |
Molecular Formula: | C20 H24 N6 O2 S |
Smiles: | Cc1ccc(CC2C(Nc3nnc(n3N=2)SCC(NC2CCCCC2)=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 3.022 |
logD: | 3.0218 |
logSw: | -3.3806 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 85.129 |
InChI Key: | ZSQYUDJYBDGFCX-UHFFFAOYSA-N |