4-{2-bromo-4-[(E)-[(thiophen-2-ylformamido)imino]methyl]phenoxymethyl}benzoic acid

4-{2-bromo-4-[(E)-[(thiophen-2-ylformamido)imino]methyl]phenoxymethyl}benzoic acid

Formula: C20H15BrN2O4S

SMILES: OC(=O)C1=CC=C(COC2=CC=C(C=NNC(=O)C3=CC=CS3)C=C2Br)C=C1

IUPAC: 4-({2-bromo-4-[(E)-{[(thiophen-2-yl)formamido]imino}methyl]phenoxy}methyl)benzoic acid

InChI: InChI=1S/C20H15BrN2O4S/c21-16-10-14(11-22-23-19(24)18-2-1-9-28-18)5-8-17(16)27-12-13-3-6-15(7-4-13)20(25)26/h1-11H,12H2,(H,23,24)(H,25,26)/b22-11+

Composition: C (52.30%), H (3.29%), Br (17.40%), N (6.10%), O (13.93%), S (6.98%)

Molar Mass: 459.31

Atom Count: 43

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	457.993591
Formal Charge	0
FSP3	0.05
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	QXWXSAATZZEYJZ-SSDVNMTOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.08
Topological Polar Surface Area	87.99
Polarizability	41.31
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H15BrN2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00