7-(but-2-en-1-yl)-8-(ethylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-(but-2-en-1-yl)-8-(ethylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-(but-2-en-1-yl)-8-(ethylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | 8010-1759 |
Compound Name: | 7-(but-2-en-1-yl)-8-(ethylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 280.35 |
Molecular Formula: | C12 H16 N4 O2 S |
Smiles: | CCSc1nc2c(C(NC(N2C)=O)=O)n1C/C=C/C |
Stereo: | ACHIRAL |
logP: | 2.5925 |
logD: | 2.5923 |
logSw: | -2.9485 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 52.45 |
InChI Key: | VPZBWXYZGDEHPB-UHFFFAOYSA-N |