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

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

Formula: C22H26BrNO4

SMILES: CCCCCOC(=O)C1C2OC3(CN(C(C)C4=CC=C(Br)C=C4)C(=O)C13)C=C2

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

InChI: InChI=1/C22H26BrNO4/c1-3-4-5-12-27-21(26)18-17-10-11-22(28-17)13-24(20(25)19(18)22)14(2)15-6-8-16(23)9-7-15/h6-11,14,17-19H,3-5,12-13H2,1-2H3

Composition: C (58.94%), H (5.85%), Br (17.82%), N (3.12%), O (14.27%)

Molar Mass: 448.357

Atom Count: 54

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	5
Exact Mass	447.104521
Formal Charge	0
FSP3	0.55
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	NEOIYXVIDPNKRZ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	109.85
Topological Polar Surface Area	55.84
Polarizability	42.82
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H26BrNO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00