8-[(1H-benzimidazol-2-yl)sulfanyl]-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(1H-benzimidazol-2-yl)sulfanyl]-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
8-[(1H-benzimidazol-2-yl)sulfanyl]-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0146 |
| Compound Name: | 8-[(1H-benzimidazol-2-yl)sulfanyl]-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 432.5 |
| Molecular Formula: | C22 H20 N6 O2 S |
| Smiles: | CN1C(NC(c2c1nc(n2CCCc1ccccc1)Sc1nc2ccccc2[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1753 |
| logD: | 4.1732 |
| logSw: | -4.2198 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.92 |
| InChI Key: | OWWZEUPNARGJHD-UHFFFAOYSA-N |