6-{8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0²,?]decan-4-yl}-N-(2,4-dichlorophenyl)hexanamide

6-{8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0²,?]decan-4-yl}-N-(2,4-dichlorophenyl)hexanamide

Formula: C21H22Br2Cl2N2O3

SMILES: ClC1=CC=C(NC(=O)CCCCCN2C(=O)C3C4CC(C(Br)C4Br)C3C2=O)C(Cl)=C1

IUPAC: 6-{8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0²,?]decan-4-yl}-N-(2,4-dichlorophenyl)hexanamide

InChI: InChI=1/C21H22Br2Cl2N2O3/c22-18-11-9-12(19(18)23)17-16(11)20(29)27(21(17)30)7-3-1-2-4-15(28)26-14-6-5-10(24)8-13(14)25/h5-6,8,11-12,16-19H,1-4,7,9H2,(H,26,28)

Composition: C (43.40%), H (3.82%), Br (27.50%), Cl (12.20%), N (4.82%), O (8.26%)

Molar Mass: 581.13

Atom Count: 52

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	6
Exact Mass	577.937424
Formal Charge	0
FSP3	0.57
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	FGLFDHZGWFMNKM-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	123.99
Topological Polar Surface Area	66.48
Polarizability	47.77
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H22Br2Cl2N2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00