7-(but-2-en-1-yl)-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-(but-2-en-1-yl)-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-(but-2-en-1-yl)-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0041 |
| Compound Name: | 7-(but-2-en-1-yl)-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 303.36 |
| Molecular Formula: | C15 H21 N5 O2 |
| Smiles: | C/C=C/Cn1c2C(NC(N(C)c2nc1N1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7522 |
| logD: | 2.7521 |
| logSw: | -3.0738 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.861 |
| InChI Key: | VPBWGXVDCJZWOM-UHFFFAOYSA-N |