N-benzyl-2-[2-(4-bromophenyl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

N-benzyl-2-[2-(4-bromophenyl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

Formula: C25H25BrN2O2S

SMILES: BrC1=CC=C(CC(=O)NC2=C(C(=O)NCC3=CC=CC=C3)C3=C(CCCCC3)S2)C=C1

IUPAC: N-benzyl-2-[2-(4-bromophenyl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

InChI: InChI=1S/C25H25BrN2O2S/c26-19-13-11-17(12-14-19)15-22(29)28-25-23(20-9-5-2-6-10-21(20)31-25)24(30)27-16-18-7-3-1-4-8-18/h1,3-4,7-8,11-14H,2,5-6,9-10,15-16H2,(H,27,30)(H,28,29)

Composition: C (60.36%), H (5.07%), Br (16.06%), N (5.63%), O (6.43%), S (6.44%)

Molar Mass: 497.45

Atom Count: 56

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	496.082012
Formal Charge	0
FSP3	0.28
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	BAMJWFFYZIXICE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	130.14
Topological Polar Surface Area	58.2
Polarizability	48.78
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H25BrN2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00