N-cyclohexyl-2-{[6-(4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7989 |
| Compound Name: | N-cyclohexyl-2-{[6-(4-methoxyphenyl)-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C19 H22 N6 O3 S |
| Smiles: | COc1ccc(cc1)C1C(Nc2nnc(n2N=1)SCC(NC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4345 |
| logD: | 2.4324 |
| logSw: | -2.7622 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.77 |
| InChI Key: | NKMIBXVKANQMCL-UHFFFAOYSA-N |