N-(4-bromo-3-methylphenyl)-N'-{2-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-N'-{2-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea
N-(4-bromo-3-methylphenyl)-N'-{2-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea
Compound characteristics
| Compound ID: | F781-0197 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-N'-{2-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea |
| Molecular Weight: | 497.42 |
| Molecular Formula: | C22 H21 Br N6 O S |
| Smiles: | CCc1c(C)nc2ncnn2c1Sc1ccccc1NC(Nc1ccc(c(C)c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.8292 |
| logD: | 5.8291 |
| logSw: | -5.4323 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.901 |
| InChI Key: | QPAQSIYHCPSIQX-UHFFFAOYSA-N |