3-(benzylsulfanyl)-7-(4-bromophenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
3-(benzylsulfanyl)-7-(4-bromophenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
3-(benzylsulfanyl)-7-(4-bromophenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
Compound ID: | G802-1008 |
Compound Name: | 3-(benzylsulfanyl)-7-(4-bromophenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
Molecular Weight: | 413.29 |
Molecular Formula: | C18 H13 Br N4 O S |
Smiles: | C(c1ccccc1)Sc1nnc2C(N(C=Cn12)c1ccc(cc1)[Br])=O |
Stereo: | ACHIRAL |
logP: | 2.8943 |
logD: | 2.8943 |
logSw: | -3.1592 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 38.702 |
InChI Key: | FETFRXSLZYUVPG-UHFFFAOYSA-N |