9-(2H-1,3-benzodioxol-5-yl)-2-(3-methylphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Chemical Structure Depiction of
9-(2H-1,3-benzodioxol-5-yl)-2-(3-methylphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
9-(2H-1,3-benzodioxol-5-yl)-2-(3-methylphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Compound characteristics
| Compound ID: | G417-0446 |
| Compound Name: | 9-(2H-1,3-benzodioxol-5-yl)-2-(3-methylphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide |
| Molecular Weight: | 389.37 |
| Molecular Formula: | C20 H15 N5 O4 |
| Smiles: | Cc1cccc(c1)c1nc(C(N)=O)c2c(n1)N(C(N2)=O)c1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.2719 |
| logD: | 3.2529 |
| logSw: | -3.2946 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.726 |
| InChI Key: | LMLJPTXBOSMRFF-UHFFFAOYSA-N |