8-chloro-1,3-dimethyl-7-[2-oxo-2-(piperidin-1-yl)ethyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-chloro-1,3-dimethyl-7-[2-oxo-2-(piperidin-1-yl)ethyl]-3,7-dihydro-1H-purine-2,6-dione
8-chloro-1,3-dimethyl-7-[2-oxo-2-(piperidin-1-yl)ethyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8010-2779 |
| Compound Name: | 8-chloro-1,3-dimethyl-7-[2-oxo-2-(piperidin-1-yl)ethyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 339.78 |
| Molecular Formula: | C14 H18 Cl N5 O3 |
| Smiles: | CN1C(c2c(nc(n2CC(N2CCCCC2)=O)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2316 |
| logD: | 1.2316 |
| logSw: | -2.2255 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.316 |
| InChI Key: | QYCBBBHHBXWDTJ-UHFFFAOYSA-N |