benzyl 3-[1-(4-bromophenyl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0¹,?]dec-8-ene-6-carboxylate

benzyl 3-[1-(4-bromophenyl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0¹,?]dec-8-ene-6-carboxylate

Formula: C24H22BrNO4

SMILES: CC(N1CC23OC(C=C2)C(C3C1=O)C(=O)OCC1=CC=CC=C1)C1=CC=C(Br)C=C1

IUPAC: benzyl 3-[1-(4-bromophenyl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0¹,?]dec-8-ene-6-carboxylate

InChI: InChI=1/C24H22BrNO4/c1-15(17-7-9-18(25)10-8-17)26-14-24-12-11-19(30-24)20(21(24)22(26)27)23(28)29-13-16-5-3-2-4-6-16/h2-12,15,19-21H,13-14H2,1H3

Composition: C (61.55%), H (4.73%), Br (17.06%), N (2.99%), O (13.66%)

Molar Mass: 468.347

Atom Count: 52

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	5
Exact Mass	467.073221
Formal Charge	0
FSP3	0.33
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	WKGYIJPAKTYYHC-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	115.99
Topological Polar Surface Area	55.84
Polarizability	45.01
Ring Count	5
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H22BrNO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00