N-(3-chloro-4-fluorophenyl)-N'-{4-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-N'-{4-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea
N-(3-chloro-4-fluorophenyl)-N'-{4-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea
Compound characteristics
| Compound ID: | L282-0176 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-N'-{4-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea |
| Molecular Weight: | 456.93 |
| Molecular Formula: | C21 H18 Cl F N6 O S |
| Smiles: | CCc1c(C)nc2ncnn2c1Sc1ccc(cc1)NC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7439 |
| logD: | 5.7426 |
| logSw: | -5.9054 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.599 |
| InChI Key: | BHWJEJXPWDEBIR-UHFFFAOYSA-N |