7-benzyl-1,3-dimethyl-8-{[(1H-tetrazol-5-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-1,3-dimethyl-8-{[(1H-tetrazol-5-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-1,3-dimethyl-8-{[(1H-tetrazol-5-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7182-0037 |
| Compound Name: | 7-benzyl-1,3-dimethyl-8-{[(1H-tetrazol-5-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 384.42 |
| Molecular Formula: | C16 H16 N8 O2 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2)SCc2nnn[nH]2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1526 |
| logD: | 0.0979 |
| logSw: | -2.5507 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.39 |
| InChI Key: | VQECGWFDWCAQFP-UHFFFAOYSA-N |