7-benzyl-1-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-1-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-1-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8012-4111 |
| Compound Name: | 7-benzyl-1-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 424.84 |
| Molecular Formula: | C21 H17 Cl N4 O4 |
| Smiles: | CN1C(N(Cc2cc3c(cc2[Cl])OCO3)C(c2c1ncn2Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.21 |
| logD: | 3.21 |
| logSw: | -3.3066 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.039 |
| InChI Key: | UWJGCJVTGIJMTK-UHFFFAOYSA-N |