4-bromo-N-{4-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzene-1-sulfonamide
Chemical Structure Depiction of
4-bromo-N-{4-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzene-1-sulfonamide
4-bromo-N-{4-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | C301-9987 |
| Compound Name: | 4-bromo-N-{4-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzene-1-sulfonamide |
| Molecular Weight: | 504.43 |
| Molecular Formula: | C20 H18 Br N5 O2 S2 |
| Smiles: | CCc1c(C)nc2ncnn2c1Sc1ccc(cc1)NS(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1423 |
| logD: | 5.0823 |
| logSw: | -5.0719 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.945 |
| InChI Key: | HHRDWEFLSLDZSG-UHFFFAOYSA-N |