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 |