IUPAC Name: N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-[[5-(4-met

[Synonyms]

[Structure]

[ Properties Computed from Structure]

Molecular Weight	566.46946 [g/mol]
Molecular Formula	C26H24BrN5O3S
XLogP	8.2
H-Bond Donor	1
H-Bond Acceptor	7
Rotatable Bond Count	9
Tautomer Count	2
Exact Mass	565.078323
MonoIsotopic Mass	565.078323
Topological Polar Surface Area	90.6
Heavy Atom Count	36
Formal Charge	0
Complexity	718
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	1
Covalently-Bonded Unit Count	1

[ Descriptors Computed from Structure]
IUPAC Name: N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-[[5-(4-methoxyphenyl)-4-
(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Canonical SMILES: CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=CC(=C(C=C3)OC)Br)C4=CC=C(C=C4)OC
InChI: InChI=1/C26H24BrN5O3S/c1-17-4-9-20(10-5-17)32-25(19-7-11-21(34-2)12-8-
19)30-31-26(32)36-16-24(33)29-28-15-18-6-13-23(35-3)22(27)14-18/h4-15H,
16H2,1-3H3,(H,29,33)/f/h29H