methyl {4-[(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethynyl]-2-methoxyphenoxy}acetate
Chemical Structure Depiction of
methyl {4-[(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethynyl]-2-methoxyphenoxy}acetate
methyl {4-[(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethynyl]-2-methoxyphenoxy}acetate
Compound characteristics
| Compound ID: | H025-3275 |
| Compound Name: | methyl {4-[(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethynyl]-2-methoxyphenoxy}acetate |
| Molecular Weight: | 440.45 |
| Molecular Formula: | C22 H24 N4 O6 |
| Smiles: | CCN1C(c2c(nc(C#Cc3ccc(c(c3)OC)OCC(=O)OC)n2C)N(CC)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5566 |
| logD: | 2.5566 |
| logSw: | -2.7155 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.204 |
| InChI Key: | ZKISJHBBSIZEDH-UHFFFAOYSA-N |