7-[(3-chlorophenyl)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-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8011-4128 |
| Compound Name: | 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 416.89 |
| Molecular Formula: | C18 H17 Cl N6 O2 S |
| Smiles: | CN1C(c2c(nc(n2Cc2cccc(c2)[Cl])Sc2nccn2C)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4003 |
| logD: | 3.3615 |
| logSw: | -3.6575 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.933 |
| InChI Key: | AYJQIHWCYYWYKW-UHFFFAOYSA-N |