2-({7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-({7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
2-({7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | 8013-5672 |
| Compound Name: | 2-({7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide |
| Molecular Weight: | 611.72 |
| Molecular Formula: | C30 H37 N5 O7 S |
| Smiles: | CCOc1ccc(Cn2c3C(N(C)C(N(C)c3nc2SCC(NCCc2ccc(c(c2)OC)OC)=O)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 2.8985 |
| logD: | 2.8985 |
| logSw: | -3.3695 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.009 |
| InChI Key: | XAWSYGAGGPJIQU-UHFFFAOYSA-N |