2-{3-nitro-5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetamide
Chemical Structure Depiction of
2-{3-nitro-5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetamide
2-{3-nitro-5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetamide
Compound characteristics
| Compound ID: | 8014-9192 |
| Compound Name: | 2-{3-nitro-5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetamide |
| Molecular Weight: | 395.35 |
| Molecular Formula: | C12 H13 N9 O5 S |
| Smiles: | CN1C(c2c(nc(n2C)Sc2nc(nn2CC(N)=O)[N+]([O-])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4067 |
| logD: | -0.4067 |
| logSw: | -0.8716 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 134.432 |
| InChI Key: | RNGDUROUYJCPLT-UHFFFAOYSA-N |