7-benzyl-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3277-0289 |
| Compound Name: | 7-benzyl-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 302.35 |
| Molecular Formula: | C14 H14 N4 O2 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2)S)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3901 |
| logD: | 2.3839 |
| logSw: | -2.5394 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.76 |
| InChI Key: | RVDINNIOYCQIRX-UHFFFAOYSA-N |