methyl 2-[2-({1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-({1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]benzoate
methyl 2-[2-({1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | 8015-9972 |
| Compound Name: | methyl 2-[2-({1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 507.57 |
| Molecular Formula: | C25 H25 N5 O5 S |
| Smiles: | Cc1ccc(Cn2c3C(N(C)C(N(C)c3nc2SCC(Nc2ccccc2C(=O)OC)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0092 |
| logD: | 3.9962 |
| logSw: | -4.1708 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.64 |
| InChI Key: | FCQULOPDJHWNST-UHFFFAOYSA-N |