8-[(1H-benzimidazol-2-yl)sulfanyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(1H-benzimidazol-2-yl)sulfanyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[(1H-benzimidazol-2-yl)sulfanyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8009-6313 |
| Compound Name: | 8-[(1H-benzimidazol-2-yl)sulfanyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 342.38 |
| Molecular Formula: | C15 H14 N6 O2 S |
| Smiles: | CN1C(c2c(nc(n2C)Sc2nc3ccccc3[nH]2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1234 |
| logD: | 2.1201 |
| logSw: | -2.5875 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.109 |
| InChI Key: | ZGZOWZDUFVBSSQ-UHFFFAOYSA-N |