8-(benzylamino)-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(benzylamino)-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(benzylamino)-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8011-1941 |
| Compound Name: | 8-(benzylamino)-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 329.36 |
| Molecular Formula: | C16 H19 N5 O3 |
| Smiles: | CN1C(c2c(nc(NCc3ccccc3)n2CCO)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4292 |
| logD: | 1.4285 |
| logSw: | -1.622 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.752 |
| InChI Key: | TVSYQHNNGWVMJX-UHFFFAOYSA-N |