3-bromo-N-{2-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-4-methoxybenzamide
Chemical Structure Depiction of
3-bromo-N-{2-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-4-methoxybenzamide
3-bromo-N-{2-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-4-methoxybenzamide
Compound characteristics
| Compound ID: | F518-0147 |
| Compound Name: | 3-bromo-N-{2-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-4-methoxybenzamide |
| Molecular Weight: | 498.4 |
| Molecular Formula: | C22 H20 Br N5 O2 S |
| Smiles: | CCc1c(C)nc2ncnn2c1Sc1ccccc1NC(c1ccc(c(c1)[Br])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8394 |
| logD: | 4.8393 |
| logSw: | -4.6774 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.319 |
| InChI Key: | JKZBOIIUGFSNHH-UHFFFAOYSA-N |