5-bromo-N-{2-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-2-methoxybenzamide
Chemical Structure Depiction of
5-bromo-N-{2-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-2-methoxybenzamide
5-bromo-N-{2-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-2-methoxybenzamide
Compound characteristics
| Compound ID: | F518-0095 |
| Compound Name: | 5-bromo-N-{2-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-2-methoxybenzamide |
| Molecular Weight: | 484.37 |
| Molecular Formula: | C21 H18 Br N5 O2 S |
| Smiles: | Cc1c(C)nc2ncnn2c1Sc1ccccc1NC(c1cc(ccc1OC)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5629 |
| logD: | 4.5627 |
| logSw: | -4.4422 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.319 |
| InChI Key: | LCQGXYNOZLZBIR-UHFFFAOYSA-N |