N-(3,5-dimethoxyphenyl)-2-{[7-(2-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,5-dimethoxyphenyl)-2-{[7-(2-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
N-(3,5-dimethoxyphenyl)-2-{[7-(2-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G802-0209 |
| Compound Name: | N-(3,5-dimethoxyphenyl)-2-{[7-(2-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 467.5 |
| Molecular Formula: | C22 H21 N5 O5 S |
| Smiles: | COc1cc(cc(c1)OC)NC(CSc1nnc2C(N(C=Cn12)c1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7802 |
| logD: | 1.7801 |
| logSw: | -2.5109 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.269 |
| InChI Key: | HXEYQRVUJCVVLW-UHFFFAOYSA-N |