N-{2-[(5-ethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-{2-[(5-ethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-3,4-dimethoxybenzamide
N-{2-[(5-ethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | F518-0530 |
| Compound Name: | N-{2-[(5-ethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-3,4-dimethoxybenzamide |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C22 H21 N5 O3 S |
| Smiles: | CCc1cc(n2c(ncn2)n1)Sc1ccccc1NC(c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5601 |
| logD: | 3.56 |
| logSw: | -3.8229 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.092 |
| InChI Key: | MBYBFQZYYOEOIQ-UHFFFAOYSA-N |