AC1OBKEY

(3-bromophenyl) 4-[[4-hydroxy-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]benzoate

Also Known As: Oprea1_182151|Oprea1_265755|BAS 00255987|(3-Bromophenyl) 4-[[4-hydroxy-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]benzoate|(3-bromophenyl) 4-[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]iminomethyl]benzoate|(3-bromophenyl) 4-[[3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]iminomethyl]benzoate|3-Bromophenyl 4-[(E)-{[3-(6-methyl-1,3-benzoxazol-2(3H)-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]imino}methyl]benzoate

Molecular Formula	C28H19BrN2O4
Molecular Weight	526.0528 g/mol
LogP	7.24112
Topological Polar Surface Area	84.92 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	526.0528
Monoisotopic Mass	526.0528
Heavy Atoms	35
Complexity	1572.2667

Chemical Identifiers

CAS Number	4977-86-0
SMILES	CC1=CC2=C(C=C1)N=C(O2)C3=C(C=CC(=C3)N=CC4=CC=C(C=C4)C(=O)OC5=CC(=CC=C5)Br)O