N-(7-hydroxy-2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-(7-hydroxy-2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-nitrobenzene-1-sulfonamide
N-(7-hydroxy-2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | C301-4401 |
| Compound Name: | N-(7-hydroxy-2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 364.34 |
| Molecular Formula: | C13 H12 N6 O5 S |
| Smiles: | Cc1c(c(n2c(n1)nc(C)n2)O)NS(c1ccccc1[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.2073 |
| logD: | -2.0424 |
| logSw: | -2.2354 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 118.755 |
| InChI Key: | RSFPSQMGKWMHEY-UHFFFAOYSA-N |