N-(3-chlorophenyl)-N'-{4-[(5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea
Chemical Structure Depiction of
N-(3-chlorophenyl)-N'-{4-[(5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea
N-(3-chlorophenyl)-N'-{4-[(5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea
Compound characteristics
Compound ID: | L282-0561 |
Compound Name: | N-(3-chlorophenyl)-N'-{4-[(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)nc2ncnn2c1Sc1ccc(cc1)NC(Nc1cccc(c1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 6.3317 |
logD: | 6.3315 |
logSw: | -6.0648 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 64.599 |
InChI Key: | GJTNIGOUVXIRDQ-UHFFFAOYSA-N |