8-(4-chlorophenoxy)-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(4-chlorophenoxy)-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
8-(4-chlorophenoxy)-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8015-0543 |
| Compound Name: | 8-(4-chlorophenoxy)-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 410.86 |
| Molecular Formula: | C21 H19 Cl N4 O3 |
| Smiles: | CN1C(c2c(nc(n2CCc2ccccc2)Oc2ccc(cc2)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7789 |
| logD: | 4.7789 |
| logSw: | -4.9472 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.731 |
| InChI Key: | DEGMZQCUPJUNQF-UHFFFAOYSA-N |