N-(5-chloro-2-methoxyphenyl)-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-(5-chloro-2-methoxyphenyl)-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-(5-chloro-2-methoxyphenyl)-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: | G856-7987 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-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: | 472.91 |
| Molecular Formula: | C20 H17 Cl N6 O4 S |
| Smiles: | COc1ccc(cc1)C1C(Nc2nnc(n2N=1)SCC(Nc1cc(ccc1OC)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7914 |
| logD: | 2.7877 |
| logSw: | -3.6517 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.655 |
| InChI Key: | LHGUOAREKLJOFP-UHFFFAOYSA-N |