N-{4-[(5-ethyl-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-N'-[3-(methylsulfanyl)phenyl]urea
Chemical Structure Depiction of
N-{4-[(5-ethyl-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-N'-[3-(methylsulfanyl)phenyl]urea
N-{4-[(5-ethyl-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-N'-[3-(methylsulfanyl)phenyl]urea
Compound characteristics
| Compound ID: | L282-0767 |
| Compound Name: | N-{4-[(5-ethyl-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-N'-[3-(methylsulfanyl)phenyl]urea |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C22 H22 N6 O S2 |
| Smiles: | CCc1cc(n2c(n1)nc(C)n2)Sc1ccc(cc1)NC(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3694 |
| logD: | 5.3694 |
| logSw: | -5.3513 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.413 |
| InChI Key: | YDJVWOHJTJXOGJ-UHFFFAOYSA-N |