9-(2H-1,3-benzodioxol-5-yl)-2-(2-ethoxyphenyl)-7-ethyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Chemical Structure Depiction of
9-(2H-1,3-benzodioxol-5-yl)-2-(2-ethoxyphenyl)-7-ethyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
9-(2H-1,3-benzodioxol-5-yl)-2-(2-ethoxyphenyl)-7-ethyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Compound characteristics
| Compound ID: | C561-3261 |
| Compound Name: | 9-(2H-1,3-benzodioxol-5-yl)-2-(2-ethoxyphenyl)-7-ethyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide |
| Molecular Weight: | 447.45 |
| Molecular Formula: | C23 H21 N5 O5 |
| Smiles: | CCN1C(N(c2ccc3c(c2)OCO3)c2c1c(C(N)=O)nc(c1ccccc1OCC)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2244 |
| logD: | 3.2244 |
| logSw: | -3.6099 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.128 |
| InChI Key: | ISTMPGHUAMBAJS-UHFFFAOYSA-N |