N-(5-chloro-2-methylphenyl)-2-[(6-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-(5-chloro-2-methylphenyl)-2-[(6-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]acetamide
N-(5-chloro-2-methylphenyl)-2-[(6-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: | G856-7963 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-2-[(6-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 364.81 |
| Molecular Formula: | C14 H13 Cl N6 O2 S |
| Smiles: | CC1C(Nc2nnc(n2N=1)SCC(Nc1cc(ccc1C)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.748 |
| logD: | 1.7469 |
| logSw: | -2.9179 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.925 |
| InChI Key: | OSDURKOSNNRCTG-UHFFFAOYSA-N |