2-[8-(benzylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(2,6-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-[8-(benzylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(2,6-dimethylphenyl)acetamide
2-[8-(benzylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(2,6-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | M451-3377 |
| Compound Name: | 2-[8-(benzylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(2,6-dimethylphenyl)acetamide |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C22 H21 N5 O2 S |
| Smiles: | Cc1cccc(C)c1NC(CN1C(N2C=CN=C(C2=N1)SCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5488 |
| logD: | 2.5488 |
| logSw: | -2.5339 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.191 |
| InChI Key: | QELVXJHDGJUWPP-UHFFFAOYSA-N |