9-(2H-1,3-benzodioxol-5-yl)-2-(3-ethoxy-2-hydroxyphenyl)-7-methyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Chemical Structure Depiction of
9-(2H-1,3-benzodioxol-5-yl)-2-(3-ethoxy-2-hydroxyphenyl)-7-methyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
9-(2H-1,3-benzodioxol-5-yl)-2-(3-ethoxy-2-hydroxyphenyl)-7-methyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Compound characteristics
| Compound ID: | G656-0333 |
| Compound Name: | 9-(2H-1,3-benzodioxol-5-yl)-2-(3-ethoxy-2-hydroxyphenyl)-7-methyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide |
| Molecular Weight: | 449.42 |
| Molecular Formula: | C22 H19 N5 O6 |
| Smiles: | CCOc1cccc(c1O)c1nc(C(N)=O)c2c(n1)N(C(N2C)=O)c1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.5869 |
| logD: | 2.5867 |
| logSw: | -2.9958 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 112.648 |
| InChI Key: | TXOKEXIYBBFOAN-UHFFFAOYSA-N |