1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | IB07-9947 |
| Compound Name: | 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 367.45 |
| Molecular Formula: | C20 H25 N5 O2 |
| Smiles: | Cc1cccc(Cn2c3C(N(C)C(N(C)c3nc2N2CCCCC2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.19 |
| logD: | 4.19 |
| logSw: | -5.1 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 66.93 |
| InChI Key: | BRRZFZPLUMWRSH-UHFFFAOYSA-N |