ethyl ({7-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({7-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetate
ethyl ({7-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | 8017-4943 |
| Compound Name: | ethyl ({7-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetate |
| Molecular Weight: | 511.35 |
| Molecular Formula: | C19 H19 Br N4 O6 S |
| Smiles: | CCOC(CSc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1cc2c(cc1[Br])OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7032 |
| logD: | 3.7032 |
| logSw: | -3.7839 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.56 |
| InChI Key: | QDMVYAQSVSSBMW-UHFFFAOYSA-N |