1-[(2-chlorophenyl)methyl]-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(2-chlorophenyl)methyl]-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
1-[(2-chlorophenyl)methyl]-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7282-5475 |
| Compound Name: | 1-[(2-chlorophenyl)methyl]-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 363.8 |
| Molecular Formula: | C16 H18 Cl N5 O3 |
| Smiles: | CN1C(N(Cc2ccccc2[Cl])C(c2c1nc(NCCO)n2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.617 |
| logD: | 1.6157 |
| logSw: | -2.3558 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.659 |
| InChI Key: | MTBBYWVGFFVCDD-UHFFFAOYSA-N |