N-(4-chlorophenyl)-N'-{2-[(5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea
Chemical Structure Depiction of
N-(4-chlorophenyl)-N'-{2-[(5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea
N-(4-chlorophenyl)-N'-{2-[(5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea
Compound characteristics
Compound ID: | F781-0221 |
Compound Name: | N-(4-chlorophenyl)-N'-{2-[(5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea |
Molecular Weight: | 452.96 |
Molecular Formula: | C22 H21 Cl N6 O S |
Smiles: | CCCc1c(C)nc2ncnn2c1Sc1ccccc1NC(Nc1ccc(cc1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 5.8137 |
logD: | 5.8136 |
logSw: | -5.9285 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 63.901 |
InChI Key: | MWXUNTUEMHOTKY-UHFFFAOYSA-N |