8-[(dibenzylamino)methyl]-7-[(2,5-dimethylphenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(dibenzylamino)methyl]-7-[(2,5-dimethylphenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-[(dibenzylamino)methyl]-7-[(2,5-dimethylphenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0286 |
| Compound Name: | 8-[(dibenzylamino)methyl]-7-[(2,5-dimethylphenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 493.61 |
| Molecular Formula: | C30 H31 N5 O2 |
| Smiles: | Cc1ccc(C)c(Cn2c3C(NC(N(C)c3nc2CN(Cc2ccccc2)Cc2ccccc2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.7068 |
| logD: | 5.7046 |
| logSw: | -5.297 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.035 |
| InChI Key: | NKQHRNPBECWKCE-UHFFFAOYSA-N |