8-[(dibenzylamino)methyl]-7-(2-ethoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(dibenzylamino)methyl]-7-(2-ethoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-[(dibenzylamino)methyl]-7-(2-ethoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0463 |
| Compound Name: | 8-[(dibenzylamino)methyl]-7-(2-ethoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 447.54 |
| Molecular Formula: | C25 H29 N5 O3 |
| Smiles: | CCOCCn1c2C(NC(N(C)c2nc1CN(Cc1ccccc1)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3555 |
| logD: | 3.3501 |
| logSw: | -3.4181 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.262 |
| InChI Key: | LJLHXJXWVXKXNV-UHFFFAOYSA-N |