4-bromophenyl 4-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]dec-8-en-4-yl}cyclohexane-1-carboxylate

4-bromophenyl 4-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]dec-8-en-4-yl}cyclohexane-1-carboxylate

Formula: C22H22BrNO4

SMILES: BrC1=CC=C(OC(=O)C2CCC(CC2)N2C(=O)C3C4CC(C=C4)C3C2=O)C=C1

IUPAC: 4-bromophenyl 4-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]dec-8-en-4-yl}cyclohexane-1-carboxylate

InChI: InChI=1/C22H22BrNO4/c23-15-5-9-17(10-6-15)28-22(27)12-3-7-16(8-4-12)24-20(25)18-13-1-2-14(11-13)19(18)21(24)26/h1-2,5-6,9-10,12-14,16,18-19H,3-4,7-8,11H2

Composition: C (59.47%), H (4.99%), Br (17.98%), N (3.15%), O (14.40%)

Molar Mass: 444.325

Atom Count: 50

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	4
Exact Mass	443.073221
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	RYXUEXOADKCODB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.96
Topological Polar Surface Area	63.68
Polarizability	41.49
Ring Count	5
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H22BrNO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00