8-(benzylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(benzylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-(benzylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7282-4717 |
| Compound Name: | 8-(benzylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 389.46 |
| Molecular Formula: | C22 H23 N5 O2 |
| Smiles: | Cc1cccc(Cn2c3C(N(C)C(N(C)c3nc2NCc2ccccc2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.2113 |
| logD: | 4.2109 |
| logSw: | -4.317 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.846 |
| InChI Key: | TXFUAUQHVIPWRF-UHFFFAOYSA-N |