N-[(2,3-dimethoxyphenyl)methyl]-2-[(8-oxo-7-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(2,3-dimethoxyphenyl)methyl]-2-[(8-oxo-7-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)sulfanyl]acetamide
N-[(2,3-dimethoxyphenyl)methyl]-2-[(8-oxo-7-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G802-0567 |
| Compound Name: | N-[(2,3-dimethoxyphenyl)methyl]-2-[(8-oxo-7-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C22 H21 N5 O4 S |
| Smiles: | COc1cccc(CNC(CSc2nnc3C(N(C=Cn23)c2ccccc2)=O)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 1.4365 |
| logD: | 1.4365 |
| logSw: | -2.1462 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.521 |
| InChI Key: | GEDIASGZZFHPEG-UHFFFAOYSA-N |