methyl 2-[2-(4-bromo-3-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

methyl 2-[2-(4-bromo-3-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Formula: C19H20BrNO4S

SMILES: COC(=O)C1=C(NC(=O)COC2=CC=C(Br)C(C)=C2)SC2=C1CCCC2

IUPAC: methyl 2-[2-(4-bromo-3-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI: InChI=1S/C19H20BrNO4S/c1-11-9-12(7-8-14(11)20)25-10-16(22)21-18-17(19(23)24-2)13-5-3-4-6-15(13)26-18/h7-9H,3-6,10H2,1-2H3,(H,21,22)

Composition: C (52.06%), H (4.60%), Br (18.23%), N (3.20%), O (14.60%), S (7.31%)

Molar Mass: 438.34

Atom Count: 46

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	437.029642
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VSOPJZFKCJTIFH-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	105.26
Topological Polar Surface Area	64.63
Polarizability	39.71
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H20BrNO4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00