2-[8-(benzylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(3-chloro-4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[8-(benzylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(3-chloro-4-fluorophenyl)acetamide
2-[8-(benzylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(3-chloro-4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | M451-3406 |
| Compound Name: | 2-[8-(benzylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(3-chloro-4-fluorophenyl)acetamide |
| Molecular Weight: | 443.89 |
| Molecular Formula: | C20 H15 Cl F N5 O2 S |
| Smiles: | C(C(Nc1ccc(c(c1)[Cl])F)=O)N1C(N2C=CN=C(C2=N1)SCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0942 |
| logD: | 3.0918 |
| logSw: | -3.3947 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.586 |
| InChI Key: | GGWUFSILZDEAMN-UHFFFAOYSA-N |