7-[(4-chlorophenyl)methyl]-8-[(2-hydroxyethyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-chlorophenyl)methyl]-8-[(2-hydroxyethyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-[(4-chlorophenyl)methyl]-8-[(2-hydroxyethyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 2516-4802 |
| Compound Name: | 7-[(4-chlorophenyl)methyl]-8-[(2-hydroxyethyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 349.77 |
| Molecular Formula: | C15 H16 Cl N5 O3 |
| Smiles: | CN1C(NC(c2c1nc(NCCO)n2Cc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7685 |
| logD: | 1.7684 |
| logSw: | -2.6371 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.529 |
| InChI Key: | PQJCLGIAPZCUDU-UHFFFAOYSA-N |