8-[(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D041-0003 |
| Compound Name: | 8-[(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 432.5 |
| Molecular Formula: | C22 H20 N6 O2 S |
| Smiles: | CN1C(c2c(nc(n2C)Sc2nc3ccccc3n2Cc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3951 |
| logD: | 4.3936 |
| logSw: | -4.3508 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.607 |
| InChI Key: | RNOKQGHTQBYICH-UHFFFAOYSA-N |