N-{2-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-3-methylbenzamide
Chemical Structure Depiction of
N-{2-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-3-methylbenzamide
N-{2-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-3-methylbenzamide
Compound characteristics
| Compound ID: | F518-0122 |
| Compound Name: | N-{2-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-3-methylbenzamide |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C22 H21 N5 O S |
| Smiles: | CCc1c(C)nc2ncnn2c1Sc1ccccc1NC(c1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5724 |
| logD: | 4.5724 |
| logSw: | -4.4257 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.689 |
| InChI Key: | BDJLJCYSUMNAAW-UHFFFAOYSA-N |