7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-{[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-{[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-{[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3871-0001 |
| Compound Name: | 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-{[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 489.94 |
| Molecular Formula: | C20 H20 Cl N7 O4 S |
| Smiles: | Cc1ncc([N+]([O-])=O)n1CCSc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.2605 |
| logD: | 3.2605 |
| logSw: | -3.3884 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.715 |
| InChI Key: | CCZHKDVPROXTRE-UHFFFAOYSA-N |