8-[(2H-1,3-benzodioxol-5-yl)methoxy]-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(2H-1,3-benzodioxol-5-yl)methoxy]-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[(2H-1,3-benzodioxol-5-yl)methoxy]-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7282-4797 |
| Compound Name: | 8-[(2H-1,3-benzodioxol-5-yl)methoxy]-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 454.87 |
| Molecular Formula: | C22 H19 Cl N4 O5 |
| Smiles: | CN1C(c2c(nc(n2Cc2ccc(cc2)[Cl])OCc2ccc3c(c2)OCO3)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5781 |
| logD: | 4.5781 |
| logSw: | -4.811 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.348 |
| InChI Key: | BAEPSTMPRILNBN-UHFFFAOYSA-N |