2-{1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}-3-methylbutanoic acid

2-{1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}-3-methylbutanoic acid

Formula: C23H19Br2NO4

SMILES: CC(C)C(N1C(=O)C2C(C1=O)C1(Br)C3=C(C=CC=C3)C2(Br)C2=C1C=CC=C2)C(O)=O

IUPAC: 2-{1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}-3-methylbutanoic acid

InChI: InChI=1/C23H19Br2NO4/c1-11(2)18(21(29)30)26-19(27)16-17(20(26)28)23(25)13-8-4-3-7-12(13)22(16,24)14-9-5-6-10-15(14)23/h3-11,16-18H,1-2H3,(H,29,30)

Composition: C (51.81%), H (3.59%), Br (29.97%), N (2.63%), O (12.00%)

Molar Mass: 533.216

Atom Count: 49

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	3
Exact Mass	530.968084
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	FBKIUUKPRWAUMF-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	117.38
Topological Polar Surface Area	74.68
Polarizability	45.34
Ring Count	5
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H19Br2NO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00