methyl 2-(2-bromobenzamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

methyl 2-(2-bromobenzamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

Formula: C16H14BrNO3S

SMILES: COC(=O)C1=C(NC(=O)C2=CC=CC=C2Br)SC2=C1CCC2

IUPAC: methyl 2-(2-bromobenzamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

InChI: InChI=1S/C16H14BrNO3S/c1-21-16(20)13-10-6-4-8-12(10)22-15(13)18-14(19)9-5-2-3-7-11(9)17/h2-3,5,7H,4,6,8H2,1H3,(H,18,19)

Composition: C (50.54%), H (3.71%), Br (21.01%), N (3.68%), O (12.62%), S (8.43%)

Molar Mass: 380.26

Atom Count: 36

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	378.987777
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QMHBUWWBXMHXIV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	90.32
Topological Polar Surface Area	55.4
Polarizability	33.57
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H14BrNO3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00