N-benzyl-5-bromo-1-benzothiophene-2-carboxamide

N-benzyl-5-bromo-1-benzothiophene-2-carboxamide

CAS: 439108-01-7

Formula: C16H12BrNOS

SMILES: BrC1=CC=C2SC(=CC2=C1)C(=O)NCC1=CC=CC=C1

IUPAC: N-benzyl-5-bromo-1-benzothiophene-2-carboxamide

InChI: InChI=1S/C16H12BrNOS/c17-13-6-7-14-12(8-13)9-15(20-14)16(19)18-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19)

Composition: C (55.50%), H (3.49%), Br (23.08%), N (4.05%), O (4.62%), S (9.26%)

Molar Mass: 346.24

Atom Count: 32

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	344.982298
Formal Charge	0
FSP3	0.06
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	NXAZPWBKMGLIBL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.39
Topological Polar Surface Area	29.1
Polarizability	33.47
Ring Count	3
Rotatable Bond Count	3

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90%	<2 Days	439108-01-7		$51.35-$86.31$51.35$63.37$86.31