7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(3-methylbutyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(3-methylbutyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(3-methylbutyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5941-1238 |
| Compound Name: | 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(3-methylbutyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 406.93 |
| Molecular Formula: | C19 H23 Cl N4 O2 S |
| Smiles: | CC(C)CCSc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.0737 |
| logD: | 5.0737 |
| logSw: | -5.1951 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.286 |
| InChI Key: | IUFAKXRFNCEZNA-UHFFFAOYSA-N |