6-benzyl-3-(methylsulfanyl)-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
6-benzyl-3-(methylsulfanyl)-1,2,4-triazin-5(2H)-one
6-benzyl-3-(methylsulfanyl)-1,2,4-triazin-5(2H)-one
Compound characteristics
Compound ID: | 8005-9612 |
Compound Name: | 6-benzyl-3-(methylsulfanyl)-1,2,4-triazin-5(2H)-one |
Molecular Weight: | 233.29 |
Molecular Formula: | C11 H11 N3 O S |
Smiles: | CSC1NN=C(Cc2ccccc2)C(N=1)=O |
Stereo: | ACHIRAL |
logP: | 1.895 |
logD: | 1.0581 |
logSw: | -2.2057 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 46.19 |
InChI Key: | UZKXPIHJBZEOAR-UHFFFAOYSA-N |