8-({1-[(2-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl}sulfanyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-({1-[(2-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl}sulfanyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
8-({1-[(2-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl}sulfanyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8012-6003 |
| Compound Name: | 8-({1-[(2-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl}sulfanyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 462.33 |
| Molecular Formula: | C17 H16 Br N7 O2 S |
| Smiles: | CN1C(c2c(nc(n2C)Sc2ncn(Cc3ccccc3[Br])n2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2065 |
| logD: | 3.2064 |
| logSw: | -3.1737 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.906 |
| InChI Key: | ZPGNSXQVOWDJGA-UHFFFAOYSA-N |