7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-8-(dimethylamino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-8-(dimethylamino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-8-(dimethylamino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8010-1739 |
| Compound Name: | 7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-8-(dimethylamino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 428.27 |
| Molecular Formula: | C17 H19 Cl2 N5 O4 |
| Smiles: | CN(C)c1nc2c(C(NC(N2C)=O)=O)n1CC(COc1ccc(cc1[Cl])[Cl])O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0091 |
| logD: | 3.0091 |
| logSw: | -3.3666 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.169 |
| InChI Key: | RTTGXAQBAYCWGI-JTQLQIEISA-N |