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

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

Formula: C23H27Br3N2O3

SMILES: CC1=CC(Br)=C(C)C=C1NC(=O)CCCCCN1C(=O)C2C3CC(C(Br)C3Br)C2C1=O

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

InChI: InChI=1/C23H27Br3N2O3/c1-11-9-16(12(2)8-15(11)24)27-17(29)6-4-3-5-7-28-22(30)18-13-10-14(19(18)23(28)31)21(26)20(13)25/h8-9,13-14,18-21H,3-7,10H2,1-2H3,(H,27,29)

Composition: C (44.62%), H (4.40%), Br (38.71%), N (4.52%), O (7.75%)

Molar Mass: 619.192

Atom Count: 58

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	6
Exact Mass	615.957182
Formal Charge	0
FSP3	0.61
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NMRCQAZVYBNJKU-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	132.09
Topological Polar Surface Area	66.48
Polarizability	50.3
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H27Br3N2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00