2-oxo-2-(thiophen-2-yl)ethyl 2-[(4-bromophenyl)amino]-4-oxo-4-phenylbutanoate

2-oxo-2-(thiophen-2-yl)ethyl 2-[(4-bromophenyl)amino]-4-oxo-4-phenylbutanoate

Formula: C22H18BrNO4S

SMILES: BrC1=CC=C(NC(CC(=O)C2=CC=CC=C2)C(=O)OCC(=O)C2=CC=CS2)C=C1

IUPAC: 2-oxo-2-(thiophen-2-yl)ethyl 2-[(4-bromophenyl)amino]-4-oxo-4-phenylbutanoate

InChI: InChI=1/C22H18BrNO4S/c23-16-8-10-17(11-9-16)24-18(13-19(25)15-5-2-1-3-6-15)22(27)28-14-20(26)21-7-4-12-29-21/h1-12,18,24H,13-14H2

Composition: C (55.94%), H (3.84%), Br (16.92%), N (2.97%), O (13.55%), S (6.79%)

Molar Mass: 472.35

Atom Count: 47

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	471.013992
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	BKQPWWMFFWQKHC-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	115.87
Topological Polar Surface Area	72.47
Polarizability	44.05
Ring Count	3
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H18BrNO4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00