9-(2H-1,3-benzodioxol-5-yl)-2-(2,5-dimethoxyphenyl)-7-ethyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Chemical Structure Depiction of
9-(2H-1,3-benzodioxol-5-yl)-2-(2,5-dimethoxyphenyl)-7-ethyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
9-(2H-1,3-benzodioxol-5-yl)-2-(2,5-dimethoxyphenyl)-7-ethyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Compound characteristics
| Compound ID: | C561-3263 |
| Compound Name: | 9-(2H-1,3-benzodioxol-5-yl)-2-(2,5-dimethoxyphenyl)-7-ethyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide |
| Molecular Weight: | 463.45 |
| Molecular Formula: | C23 H21 N5 O6 |
| Smiles: | CCN1C(N(c2ccc3c(c2)OCO3)c2c1c(C(N)=O)nc(c1cc(ccc1OC)OC)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8803 |
| logD: | 2.8803 |
| logSw: | -3.3895 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.092 |
| InChI Key: | YBJWZQCDCKARQU-UHFFFAOYSA-N |