4'-cyano[1,1'-biphenyl]-4-yl 3-cyano-4-(hexyloxy)benzoate
Chemical Structure Depiction of
4'-cyano[1,1'-biphenyl]-4-yl 3-cyano-4-(hexyloxy)benzoate
4'-cyano[1,1'-biphenyl]-4-yl 3-cyano-4-(hexyloxy)benzoate
Compound characteristics
Compound ID: | 0053-0003 |
Compound Name: | 4'-cyano[1,1'-biphenyl]-4-yl 3-cyano-4-(hexyloxy)benzoate |
Molecular Weight: | 424.5 |
Molecular Formula: | C27 H24 N2 O3 |
Smiles: | CCCCCCOc1ccc(cc1C#N)C(=O)Oc1ccc(cc1)c1ccc(C#N)cc1 |
Stereo: | ACHIRAL |
logP: | 6.9032 |
logD: | 6.9032 |
logSw: | -5.7523 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 61.961 |
InChI Key: | AXJHXZXVQPLFBX-UHFFFAOYSA-N |