8-(2-chlorophenoxy)-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(2-chlorophenoxy)-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
8-(2-chlorophenoxy)-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8014-9437 |
| Compound Name: | 8-(2-chlorophenoxy)-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 376.84 |
| Molecular Formula: | C18 H21 Cl N4 O3 |
| Smiles: | CC(C)CCn1c2C(N(C)C(N(C)c2nc1Oc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4571 |
| logD: | 4.4571 |
| logSw: | -4.4987 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.089 |
| InChI Key: | CQLGAQPKSADMMC-UHFFFAOYSA-N |