N-(3-chloro-4-fluorophenyl)-N'-{4-[(5-ethyl-2-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-[(5-ethyl-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea
N-(3-chloro-4-fluorophenyl)-N'-{4-[(5-ethyl-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea
Compound characteristics
| Compound ID: | L282-0733 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-N'-{4-[(5-ethyl-2-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: | CCc1cc(n2c(n1)nc(C)n2)Sc1ccc(cc1)NC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6387 |
| logD: | 5.6374 |
| logSw: | -5.8796 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.413 |
| InChI Key: | XWVBBZMXWDAZDD-UHFFFAOYSA-N |