1-[(4-chlorophenyl)methyl]-8-[(2-hydroxypropyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(4-chlorophenyl)methyl]-8-[(2-hydroxypropyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
1-[(4-chlorophenyl)methyl]-8-[(2-hydroxypropyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0158 |
| Compound Name: | 1-[(4-chlorophenyl)methyl]-8-[(2-hydroxypropyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 377.83 |
| Molecular Formula: | C17 H20 Cl N5 O3 |
| Smiles: | CC(CNc1nc2c(C(N(Cc3ccc(cc3)[Cl])C(N2C)=O)=O)n1C)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9339 |
| logD: | 1.9336 |
| logSw: | -2.6771 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.64 |
| InChI Key: | HKYIKKDBUBUYLK-JTQLQIEISA-N |