8-[(1H-benzimidazol-2-yl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(1H-benzimidazol-2-yl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
8-[(1H-benzimidazol-2-yl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0153 |
| Compound Name: | 8-[(1H-benzimidazol-2-yl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 418.48 |
| Molecular Formula: | C21 H18 N6 O2 S |
| Smiles: | CN1C(NC(c2c1nc(n2CCc1ccccc1)Sc1nc2ccccc2[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.636 |
| logD: | 3.6339 |
| logSw: | -4.034 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.92 |
| InChI Key: | HNNHWHCIMUYMMU-UHFFFAOYSA-N |