7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-[(3-hydroxypropyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-[(3-hydroxypropyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-[(3-hydroxypropyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | 2516-4506 |
Compound Name: | 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-[(3-hydroxypropyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 423.85 |
Molecular Formula: | C18 H22 Cl N5 O5 |
Smiles: | CN1C(NC(c2c1nc(NCCCO)n2CC(COc1ccc(cc1)[Cl])O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.5236 |
logD: | 1.5234 |
logSw: | -2.409 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 4 |
Polar surface area: | 104.647 |
InChI Key: | NETQSULSBCWIPU-LBPRGKRZSA-N |