1,3,7-trimethyl-8-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3,7-trimethyl-8-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
1,3,7-trimethyl-8-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8014-1920 |
| Compound Name: | 1,3,7-trimethyl-8-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 352.33 |
| Molecular Formula: | C11 H12 N8 O4 S |
| Smiles: | CN1C(c2c(nc(n2C)Sc2nc(nn2C)[N+]([O-])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7673 |
| logD: | 0.7673 |
| logSw: | -1.2857 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 101.33 |
| InChI Key: | YZGKZAFJFYTIBK-UHFFFAOYSA-N |