8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0645 |
| Compound Name: | 8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 383.49 |
| Molecular Formula: | C21 H29 N5 O2 |
| Smiles: | CC(C)CCn1c2C(N(C)C(N(C)c2nc1CN(C)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5862 |
| logD: | 3.5676 |
| logSw: | -3.6002 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.775 |
| InChI Key: | IBEJBQLZSYSDCB-UHFFFAOYSA-N |