N-benzyl-2-[8-(benzylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-benzyl-2-[8-(benzylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
N-benzyl-2-[8-(benzylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | M451-3484 |
| Compound Name: | N-benzyl-2-[8-(benzylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide |
| Molecular Weight: | 405.48 |
| Molecular Formula: | C21 H19 N5 O2 S |
| Smiles: | C(c1ccccc1)NC(CN1C(N2C=CN=C(C2=N1)SCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9418 |
| logD: | 1.9418 |
| logSw: | -2.2805 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.909 |
| InChI Key: | XPNKCMJPDPXXLZ-UHFFFAOYSA-N |