N-(4-bromophenyl)-4-{3,5-dioxo-8-phenyl-4-azatricyclo[5.2.1.0²,?]decan-4-yl}benzamide

N-(4-bromophenyl)-4-{3,5-dioxo-8-phenyl-4-azatricyclo[5.2.1.0²,?]decan-4-yl}benzamide

Formula: C28H23BrN2O3

SMILES: BrC1=CC=C(NC(=O)C2=CC=C(C=C2)N2C(=O)C3C4CC(C(C4)C4=CC=CC=C4)C3C2=O)C=C1

IUPAC: N-(4-bromophenyl)-4-{3,5-dioxo-8-phenyl-4-azatricyclo[5.2.1.0²,?]decan-4-yl}benzamide

InChI: InChI=1/C28H23BrN2O3/c29-19-8-10-20(11-9-19)30-26(32)17-6-12-21(13-7-17)31-27(33)24-18-14-22(16-4-2-1-3-5-16)23(15-18)25(24)28(31)34/h1-13,18,22-25H,14-15H2,(H,30,32)

Composition: C (65.25%), H (4.50%), Br (15.50%), N (5.44%), O (9.31%)

Molar Mass: 515.407

Atom Count: 57

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	5
Exact Mass	514.089206
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XFTWOSYEYSZRRX-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	134
Topological Polar Surface Area	66.48
Polarizability	50.89
Ring Count	6
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H23BrN2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00