1-[(4-chlorophenyl)methyl]-8-[(4-hydroxybutyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(4-chlorophenyl)methyl]-8-[(4-hydroxybutyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
1-[(4-chlorophenyl)methyl]-8-[(4-hydroxybutyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7282-5705 |
| Compound Name: | 1-[(4-chlorophenyl)methyl]-8-[(4-hydroxybutyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 391.86 |
| Molecular Formula: | C18 H22 Cl N5 O3 |
| Smiles: | CN1C(N(Cc2ccc(cc2)[Cl])C(c2c1nc(NCCCCO)n2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9058 |
| logD: | 1.9047 |
| logSw: | -2.7715 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.659 |
| InChI Key: | RAXIDOOSFACAMQ-UHFFFAOYSA-N |