8-(4-chlorophenoxy)-1,3-dimethyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(4-chlorophenoxy)-1,3-dimethyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
8-(4-chlorophenoxy)-1,3-dimethyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C406-0073 |
| Compound Name: | 8-(4-chlorophenoxy)-1,3-dimethyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 362.81 |
| Molecular Formula: | C17 H19 Cl N4 O3 |
| Smiles: | CC(C)Cn1c2C(N(C)C(N(C)c2nc1Oc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3582 |
| logD: | 4.3582 |
| logSw: | -4.6317 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.024 |
| InChI Key: | ZIDICUPWHYCCDW-UHFFFAOYSA-N |