8-[(dibenzylamino)methyl]-3-methyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(dibenzylamino)methyl]-3-methyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
8-[(dibenzylamino)methyl]-3-methyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0618 |
| Compound Name: | 8-[(dibenzylamino)methyl]-3-methyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C25 H27 N5 O3 |
| Smiles: | CC(C(C)=O)n1c2C(NC(N(C)c2nc1CN(Cc1ccccc1)Cc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9001 |
| logD: | 2.8954 |
| logSw: | -3.2269 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.828 |
| InChI Key: | VWKIXXLRTVYOGF-KRWDZBQOSA-N |