7-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-8-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-8-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-8-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8011-0086 |
| Compound Name: | 7-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-8-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 451.33 |
| Molecular Formula: | C18 H16 Cl2 N6 O2 S |
| Smiles: | CN1C(c2c(nc(n2Cc2c(cccc2[Cl])[Cl])Sc2nccn2C)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9393 |
| logD: | 3.9005 |
| logSw: | -4.132 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.933 |
| InChI Key: | RQHINOSICJLPFG-UHFFFAOYSA-N |