4-[(6-methyl-2-phenyl-4H-1-benzopyran-4-ylidene)amino]butanoic acid--hydrogen tetrafluoridoborate (1/1)
Chemical Structure Depiction of
4-[(6-methyl-2-phenyl-4H-1-benzopyran-4-ylidene)amino]butanoic acid--hydrogen tetrafluoridoborate (1/1)
4-[(6-methyl-2-phenyl-4H-1-benzopyran-4-ylidene)amino]butanoic acid--hydrogen tetrafluoridoborate (1/1)
Compound characteristics
Compound ID: | 6197-5000 |
Compound Name: | 4-[(6-methyl-2-phenyl-4H-1-benzopyran-4-ylidene)amino]butanoic acid--hydrogen tetrafluoridoborate (1/1) |
Molecular Weight: | 409.19 |
Molecular Formula: | C20 H19 N O3 |
Salt: | HBF4 |
Smiles: | Cc1ccc2c(c1)C(/C=C(c1ccccc1)O2)=N/CCCC(O)=O |
Stereo: | ACHIRAL |
logP: | 3.984 |
logD: | 3.984 |
logSw: | -4.081 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 45.02 |
InChI Key: | GVPLTMDTRAZFIC-HEHNFIMWSA-N |