8-[(dibenzylamino)methyl]-7-ethyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(dibenzylamino)methyl]-7-ethyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-[(dibenzylamino)methyl]-7-ethyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0026 |
| Compound Name: | 8-[(dibenzylamino)methyl]-7-ethyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C23 H25 N5 O2 |
| Smiles: | CCn1c2C(NC(N(C)c2nc1CN(Cc1ccccc1)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.359 |
| logD: | 3.3538 |
| logSw: | -3.5187 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.031 |
| InChI Key: | XKBMSGJNVPHDRS-UHFFFAOYSA-N |