N-{4-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-{4-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-3,4-dimethoxybenzamide
N-{4-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | L281-0088 |
| Compound Name: | N-{4-[(5,6-dimethyl[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: | Cc1c(C)nc2ncnn2c1Sc1ccc(cc1)NC(c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4888 |
| logD: | 3.4887 |
| logSw: | -3.925 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.648 |
| InChI Key: | LKLUCSQOTDYNCW-UHFFFAOYSA-N |