9-(2H-1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-7-methyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Chemical Structure Depiction of
9-(2H-1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-7-methyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
9-(2H-1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-7-methyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Compound characteristics
| Compound ID: | C561-3252 |
| Compound Name: | 9-(2H-1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-7-methyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide |
| Molecular Weight: | 419.4 |
| Molecular Formula: | C21 H17 N5 O5 |
| Smiles: | CN1C(N(c2ccc3c(c2)OCO3)c2c1c(C(N)=O)nc(c1ccc(cc1)OC)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2565 |
| logD: | 3.2565 |
| logSw: | -3.4999 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.503 |
| InChI Key: | CYXYPIUCLJWASP-UHFFFAOYSA-N |