8-[(1H-benzimidazol-2-yl)sulfanyl]-3-methyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(1H-benzimidazol-2-yl)sulfanyl]-3-methyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-[(1H-benzimidazol-2-yl)sulfanyl]-3-methyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0166 |
| Compound Name: | 8-[(1H-benzimidazol-2-yl)sulfanyl]-3-methyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 418.48 |
| Molecular Formula: | C21 H18 N6 O2 S |
| Smiles: | Cc1cccc(Cn2c3C(NC(N(C)c3nc2Sc2nc3ccccc3[nH]2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.1331 |
| logD: | 4.1302 |
| logSw: | -4.3034 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.942 |
| InChI Key: | WAEHBPCIISNTDG-UHFFFAOYSA-N |