7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-[(3-methoxypropyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-[(3-methoxypropyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-[(3-methoxypropyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5227-1009 |
| Compound Name: | 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-[(3-methoxypropyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 437.88 |
| Molecular Formula: | C19 H24 Cl N5 O5 |
| Smiles: | CN1C(NC(c2c1nc(NCCCOC)n2CC(COc1ccc(cc1)[Cl])O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4441 |
| logD: | 2.4439 |
| logSw: | -3.0634 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.334 |
| InChI Key: | KHXVMMTWQMOXMV-ZDUSSCGKSA-N |