2-(adamantan-1-yl)-N-(4-bromophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Chemical Structure Depiction of
2-(adamantan-1-yl)-N-(4-bromophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
2-(adamantan-1-yl)-N-(4-bromophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Compound characteristics
Compound ID: | C301-7488 |
Compound Name: | 2-(adamantan-1-yl)-N-(4-bromophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
Molecular Weight: | 438.37 |
Molecular Formula: | C22 H24 Br N5 |
Smiles: | Cc1cc(Nc2ccc(cc2)[Br])n2c(n1)nc(C13CC4CC(CC(C4)C3)C1)n2 |
Stereo: | ACHIRAL |
logP: | 6.3989 |
logD: | 6.3777 |
logSw: | -5.8143 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 39.874 |
InChI Key: | BXGCNSXMCPIISS-UHFFFAOYSA-N |