3-benzyl-7-[2-(diethylamino)ethyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-benzyl-7-[2-(diethylamino)ethyl]-3,7-dihydro-1H-purine-2,6-dione
3-benzyl-7-[2-(diethylamino)ethyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D090-0136 |
| Compound Name: | 3-benzyl-7-[2-(diethylamino)ethyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 414.33 |
| Molecular Formula: | C18 H23 N5 O2 |
| Salt: | 2HCl |
| Smiles: | CCN(CC)CCn1cnc2c1C(NC(N2Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9791 |
| logD: | 1.2778 |
| logSw: | -2.4286 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.498 |
| InChI Key: | KWNVJQWGGAWZAY-UHFFFAOYSA-N |