1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0031 |
| Compound Name: | 1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 412.45 |
| Molecular Formula: | C20 H24 N6 O4 |
| Smiles: | CC1CCN(CC1)c1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7952 |
| logD: | 3.795 |
| logSw: | -3.8581 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.079 |
| InChI Key: | COJROSKWYDTYSU-UHFFFAOYSA-N |