2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(4-methylcyclohexyl)acetamide
Chemical Structure Depiction of
2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(4-methylcyclohexyl)acetamide
2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(4-methylcyclohexyl)acetamide
Compound characteristics
Compound ID: | K784-8731 |
Compound Name: | 2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(4-methylcyclohexyl)acetamide |
Molecular Weight: | 476.01 |
Molecular Formula: | C23 H27 Cl F N5 O S |
Smiles: | CC1CCC(CC1)NC(CSc1nc2nc(C)c(Cc3c(cccc3[Cl])F)c(C)n2n1)=O |
Stereo: | ACHIRAL |
logP: | 5.3997 |
logD: | 5.3996 |
logSw: | -5.8442 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 53.752 |
InChI Key: | HADDPHPXYGHZAH-UHFFFAOYSA-N |