2-{4-[2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethenyl]-2-methoxyphenoxy}-N-methylacetamide
Chemical Structure Depiction of
2-{4-[2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethenyl]-2-methoxyphenoxy}-N-methylacetamide
2-{4-[2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethenyl]-2-methoxyphenoxy}-N-methylacetamide
Compound characteristics
| Compound ID: | H025-3250 |
| Compound Name: | 2-{4-[2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethenyl]-2-methoxyphenoxy}-N-methylacetamide |
| Molecular Weight: | 441.49 |
| Molecular Formula: | C22 H27 N5 O5 |
| Smiles: | CCN1C(c2c(nc(/C=C/c3ccc(c(c3)OC)OCC(NC)=O)n2C)N(CC)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6711 |
| logD: | 1.6711 |
| logSw: | -2.2698 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.247 |
| InChI Key: | WWMHBAOEXJEQAI-PKNBQFBNSA-N |