7-chloro-N-cyclooctyl-3-(3-methylphenyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
Chemical Structure Depiction of
7-chloro-N-cyclooctyl-3-(3-methylphenyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
7-chloro-N-cyclooctyl-3-(3-methylphenyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
Compound characteristics
Compound ID: | C680-0969 |
Compound Name: | 7-chloro-N-cyclooctyl-3-(3-methylphenyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine |
Molecular Weight: | 419.96 |
Molecular Formula: | C24 H26 Cl N5 |
Smiles: | Cc1cccc(c1)c1c2nc(c3cc(ccc3n2nn1)[Cl])NC1CCCCCCC1 |
Stereo: | ACHIRAL |
logP: | 7.1667 |
logD: | 7.1666 |
logSw: | -6.6113 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 43.126 |
InChI Key: | WPLWEKCTYFXCAH-UHFFFAOYSA-N |