N-(4-bromo-2-fluorophenyl)-2-({5,7-dimethyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-2-({5,7-dimethyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
N-(4-bromo-2-fluorophenyl)-2-({5,7-dimethyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
Compound characteristics
Compound ID: | K786-0291 |
Compound Name: | N-(4-bromo-2-fluorophenyl)-2-({5,7-dimethyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide |
Molecular Weight: | 514.42 |
Molecular Formula: | C23 H21 Br F N5 O S |
Smiles: | Cc1ccc(Cc2c(C)nc3nc(nn3c2C)SCC(Nc2ccc(cc2F)[Br])=O)cc1 |
Stereo: | ACHIRAL |
logP: | 5.151 |
logD: | 5.1427 |
logSw: | -5.0046 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 52.006 |
InChI Key: | BWHQNVUWQBCPNC-UHFFFAOYSA-N |