2-{8-[(2-ethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-{8-[(2-ethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
2-{8-[(2-ethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | M451-2138 |
| Compound Name: | 2-{8-[(2-ethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 451.57 |
| Molecular Formula: | C22 H21 N5 O2 S2 |
| Smiles: | CCc1ccccc1SC1C2=NN(CC(Nc3cccc(c3)SC)=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8825 |
| logD: | 3.8825 |
| logSw: | -3.8866 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.586 |
| InChI Key: | LLHFGAFBNOKATP-UHFFFAOYSA-N |