1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0725 |
| Compound Name: | 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C23 H31 N5 O2 |
| Smiles: | CC1CCN(CC1)Cc1nc2c(C(N(C)C(N2C)=O)=O)n1CCCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8287 |
| logD: | 3.66 |
| logSw: | -3.9028 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.391 |
| InChI Key: | JTZNQYZKOPWNPB-UHFFFAOYSA-N |