8-(benzyloxy)-1-[(4-chlorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(benzyloxy)-1-[(4-chlorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(benzyloxy)-1-[(4-chlorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0165 |
| Compound Name: | 8-(benzyloxy)-1-[(4-chlorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 410.86 |
| Molecular Formula: | C21 H19 Cl N4 O3 |
| Smiles: | CN1C(N(Cc2ccc(cc2)[Cl])C(c2c1nc(n2C)OCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2008 |
| logD: | 4.2007 |
| logSw: | -4.6134 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.277 |
| InChI Key: | MQCRPFVTSUDRSM-UHFFFAOYSA-N |