8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0720 |
| Compound Name: | 8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 431.54 |
| Molecular Formula: | C25 H29 N5 O2 |
| Smiles: | CN(Cc1ccccc1)Cc1nc2c(C(N(C)C(N2C)=O)=O)n1CCCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1414 |
| logD: | 4.1227 |
| logSw: | -4.1855 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.503 |
| InChI Key: | MWCSXTGSSKNQJY-UHFFFAOYSA-N |