7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione
7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 2516-4543 |
| Compound Name: | 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 379.8 |
| Molecular Formula: | C16 H18 Cl N5 O4 |
| Smiles: | CNc1nc2c(C(NC(N2C)=O)=O)n1CC(COc1ccc(cc1)[Cl])O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1309 |
| logD: | 2.1307 |
| logSw: | -2.811 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.301 |
| InChI Key: | ITUNHDZOLRREKF-JTQLQIEISA-N |