8-[(4-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(4-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[(4-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8011-3983 |
| Compound Name: | 8-[(4-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 383.43 |
| Molecular Formula: | C17 H17 N7 O2 S |
| Smiles: | CN1C(c2c(nc(n2C)Sc2nncn2Cc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.933 |
| logD: | 1.933 |
| logSw: | -2.3346 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.034 |
| InChI Key: | PWXYPRMRXNDBMC-UHFFFAOYSA-N |