N-{2-[(5-ethyl-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-3-methylbenzamide
Chemical Structure Depiction of
N-{2-[(5-ethyl-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-3-methylbenzamide
N-{2-[(5-ethyl-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-3-methylbenzamide
Compound characteristics
| Compound ID: | F518-0589 |
| Compound Name: | N-{2-[(5-ethyl-2-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: | CCc1cc(n2c(n1)nc(C)n2)Sc1ccccc1NC(c1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4391 |
| logD: | 4.439 |
| logSw: | -4.2702 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.503 |
| InChI Key: | YYPHKPSSKJCKQP-UHFFFAOYSA-N |