N-(2-bromophenyl)-N'-{4-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea
Chemical Structure Depiction of
N-(2-bromophenyl)-N'-{4-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea
N-(2-bromophenyl)-N'-{4-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea
Compound characteristics
| Compound ID: | L282-0178 |
| Compound Name: | N-(2-bromophenyl)-N'-{4-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea |
| Molecular Weight: | 483.39 |
| Molecular Formula: | C21 H19 Br N6 O S |
| Smiles: | CCc1c(C)nc2ncnn2c1Sc1ccc(cc1)NC(Nc1ccccc1[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2774 |
| logD: | 5.2773 |
| logSw: | -5.1619 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.901 |
| InChI Key: | BZKQXSKMSYXIPR-UHFFFAOYSA-N |