8-(2-chlorophenoxy)-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(2-chlorophenoxy)-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
8-(2-chlorophenoxy)-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 6284-0054 |
| Compound Name: | 8-(2-chlorophenoxy)-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 346.77 |
| Molecular Formula: | C16 H15 Cl N4 O3 |
| Smiles: | CN1C(c2c(nc(n2CC=C)Oc2ccccc2[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3713 |
| logD: | 3.3713 |
| logSw: | -3.7003 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.089 |
| InChI Key: | XGXZDCKHKKSXEJ-UHFFFAOYSA-N |