N-(4-fluorophenyl)-2-({6-[(4-methoxyphenyl)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-(4-fluorophenyl)-2-({6-[(4-methoxyphenyl)methyl]-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)acetamide
N-(4-fluorophenyl)-2-({6-[(4-methoxyphenyl)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: | G856-8036 |
| Compound Name: | N-(4-fluorophenyl)-2-({6-[(4-methoxyphenyl)methyl]-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 440.45 |
| Molecular Formula: | C20 H17 F N6 O3 S |
| Smiles: | COc1ccc(CC2C(Nc3nnc(n3N=2)SCC(Nc2ccc(cc2)F)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7141 |
| logD: | 2.714 |
| logSw: | -3.3372 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.626 |
| InChI Key: | HIVCMAFQKJIQKX-UHFFFAOYSA-N |