N-{2-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-3,5-dimethoxybenzamide
Chemical Structure Depiction of
N-{2-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-3,5-dimethoxybenzamide
N-{2-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-3,5-dimethoxybenzamide
Compound characteristics
| Compound ID: | F518-0077 |
| Compound Name: | N-{2-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-3,5-dimethoxybenzamide |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C22 H21 N5 O3 S |
| Smiles: | Cc1c(C)nc2ncnn2c1Sc1ccccc1NC(c1cc(cc(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9682 |
| logD: | 3.9682 |
| logSw: | -4.1982 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.776 |
| InChI Key: | NVJQJMYQLUSKDH-UHFFFAOYSA-N |