ethyl ({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetate
ethyl ({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | 8015-8243 |
| Compound Name: | ethyl ({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetate |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C19 H22 N4 O4 S |
| Smiles: | CCOC(CSc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8287 |
| logD: | 3.8285 |
| logSw: | -3.7062 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.445 |
| InChI Key: | BHQDGRGKGVOFLQ-UHFFFAOYSA-N |