N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8014-1232 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide |
| Molecular Weight: | 537.64 |
| Molecular Formula: | C27 H31 N5 O5 S |
| Smiles: | Cc1ccccc1Cn1c2C(N(C)C(N(C)c2nc1SCC(NCCc1ccc(c(c1)OC)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5906 |
| logD: | 3.5906 |
| logSw: | -3.7709 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.589 |
| InChI Key: | JLWPPLHQSQOBSJ-UHFFFAOYSA-N |