9-(2H-1,3-benzodioxol-5-yl)-2-(4-ethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Chemical Structure Depiction of
9-(2H-1,3-benzodioxol-5-yl)-2-(4-ethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
9-(2H-1,3-benzodioxol-5-yl)-2-(4-ethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Compound characteristics
| Compound ID: | G417-0328 |
| Compound Name: | 9-(2H-1,3-benzodioxol-5-yl)-2-(4-ethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide |
| Molecular Weight: | 419.4 |
| Molecular Formula: | C21 H17 N5 O5 |
| Smiles: | CCOc1ccc(cc1)c1nc(C(N)=O)c2c(n1)N(C(N2)=O)c1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.2716 |
| logD: | 3.2526 |
| logSw: | -3.3537 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.85 |
| InChI Key: | BWAWOJLMRPCVOO-UHFFFAOYSA-N |