1,3-dimethyl-7-(2-phenylethyl)-8-[(piperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-(2-phenylethyl)-8-[(piperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-(2-phenylethyl)-8-[(piperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0747 |
| Compound Name: | 1,3-dimethyl-7-(2-phenylethyl)-8-[(piperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 381.48 |
| Molecular Formula: | C21 H27 N5 O2 |
| Smiles: | CN1C(c2c(nc(CN3CCCCC3)n2CCc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8989 |
| logD: | 2.8623 |
| logSw: | -3.0764 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.391 |
| InChI Key: | JRIRCRMAURTFST-UHFFFAOYSA-N |