8-[(1H-benzimidazol-2-yl)sulfanyl]-7-[(4-chlorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(1H-benzimidazol-2-yl)sulfanyl]-7-[(4-chlorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-[(1H-benzimidazol-2-yl)sulfanyl]-7-[(4-chlorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0154 |
| Compound Name: | 8-[(1H-benzimidazol-2-yl)sulfanyl]-7-[(4-chlorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 438.89 |
| Molecular Formula: | C20 H15 Cl N6 O2 S |
| Smiles: | CN1C(NC(c2c1nc(n2Cc1ccc(cc1)[Cl])Sc1nc2ccccc2[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0813 |
| logD: | 4.0783 |
| logSw: | -4.5392 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.942 |
| InChI Key: | ZRVAZQLQUNPJCK-UHFFFAOYSA-N |