8-(4-chloro-3-methylphenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(4-chloro-3-methylphenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(4-chloro-3-methylphenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8017-3169 |
| Compound Name: | 8-(4-chloro-3-methylphenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 334.76 |
| Molecular Formula: | C15 H15 Cl N4 O3 |
| Smiles: | Cc1cc(ccc1[Cl])Oc1nc2c(C(N(C)C(N2C)=O)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 3.4494 |
| logD: | 3.4494 |
| logSw: | -3.8248 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.834 |
| InChI Key: | MJIAQGPFSNRWRI-UHFFFAOYSA-N |