8-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8017-4604 |
| Compound Name: | 8-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 453.31 |
| Molecular Formula: | C17 H17 Br N4 O4 S |
| Smiles: | CCn1c2C(N(C)C(N(C)c2nc1SCc1cc2c(cc1[Br])OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9739 |
| logD: | 3.9738 |
| logSw: | -3.9319 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.126 |
| InChI Key: | MDMMBEXVYCJFMR-UHFFFAOYSA-N |