8-[(dibenzylamino)methyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(dibenzylamino)methyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-[(dibenzylamino)methyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0313 |
| Compound Name: | 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 493.61 |
| Molecular Formula: | C30 H31 N5 O2 |
| Smiles: | Cc1ccc(Cn2c3C(N(C)C(N(C)c3nc2CN(Cc2ccccc2)Cc2ccccc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.362 |
| logD: | 5.3618 |
| logSw: | -5.318 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.121 |
| InChI Key: | XQRQNGHGUASPJC-UHFFFAOYSA-N |