8-amino-7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-amino-7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-amino-7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 2516-4305 |
| Compound Name: | 8-amino-7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 400.22 |
| Molecular Formula: | C15 H15 Cl2 N5 O4 |
| Smiles: | CN1C(NC(c2c1nc(N)n2CC(COc1ccc(cc1[Cl])[Cl])O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1723 |
| logD: | 2.1712 |
| logSw: | -3.0597 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 96.585 |
| InChI Key: | XJWBARQNQAKNFA-QMMMGPOBSA-N |