8-(4-ethylpiperazin-1-yl)-3-methyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(4-ethylpiperazin-1-yl)-3-methyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
8-(4-ethylpiperazin-1-yl)-3-methyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | G856-5802 |
Compound Name: | 8-(4-ethylpiperazin-1-yl)-3-methyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 482.57 |
Molecular Formula: | C21 H26 N10 O2 S |
Smiles: | CCN1CCN(CC1)c1nc2c(C(NC(N2C)=O)=O)n1CCSc1nnnn1c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 1.8726 |
logD: | 0.1167 |
logSw: | -2.4257 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 98.049 |
InChI Key: | KWHKBWHKUTTZSA-UHFFFAOYSA-N |