N-(3,4-dimethoxyphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
N-(3,4-dimethoxyphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | J095-0016 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 375.4 |
| Molecular Formula: | C16 H17 N5 O4 S |
| Smiles: | Cn1c2c(C(NC=N2)=O)nc1SCC(Nc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4883 |
| logD: | 0.4877 |
| logSw: | -2.3884 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.922 |
| InChI Key: | JCEQIKSJQWUGLO-UHFFFAOYSA-N |