benzyl (8-bromo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
Chemical Structure Depiction of
benzyl (8-bromo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
benzyl (8-bromo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
Compound characteristics
| Compound ID: | 8018-1605 |
| Compound Name: | benzyl (8-bromo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate |
| Molecular Weight: | 407.22 |
| Molecular Formula: | C16 H15 Br N4 O4 |
| Smiles: | CN1C(c2c(nc(n2CC(=O)OCc2ccccc2)[Br])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6314 |
| logD: | 2.6314 |
| logSw: | -2.7588 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.838 |
| InChI Key: | HXNYAZQFWIXZSX-UHFFFAOYSA-N |