8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0478 |
| Compound Name: | 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 507.59 |
| Molecular Formula: | C30 H29 N5 O3 |
| Smiles: | CN1C(c2c(nc(CN(Cc3ccccc3)Cc3ccccc3)n2CC(c2ccccc2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3207 |
| logD: | 4.3204 |
| logSw: | -4.2833 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.368 |
| InChI Key: | WLLOYLCQGOXFAA-UHFFFAOYSA-N |