N-(3-chlorophenyl)-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-(3-chlorophenyl)-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-(3-chlorophenyl)-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: | G856-7979 |
| Compound Name: | N-(3-chlorophenyl)-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: | 442.88 |
| Molecular Formula: | C19 H15 Cl N6 O3 S |
| Smiles: | COc1ccc(cc1)C1C(Nc2nnc(n2N=1)SCC(Nc1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2921 |
| logD: | 3.29 |
| logSw: | -3.8153 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.722 |
| InChI Key: | DDWABFOBVPREFE-UHFFFAOYSA-N |