N-(3-chloro-4-methylphenyl)-2-{8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0²,?]decan-4-yl}-3-phenylpropanamide

N-(3-chloro-4-methylphenyl)-2-{8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0²,?]decan-4-yl}-3-phenylpropanamide

Formula: C25H23Br2ClN2O3

SMILES: CC1=CC=C(NC(=O)C(CC2=CC=CC=C2)N2C(=O)C3C4CC(C(Br)C4Br)C3C2=O)C=C1Cl

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

InChI: InChI=1/C25H23Br2ClN2O3/c1-12-7-8-14(10-17(12)28)29-23(31)18(9-13-5-3-2-4-6-13)30-24(32)19-15-11-16(20(19)25(30)33)22(27)21(15)26/h2-8,10,15-16,18-22H,9,11H2,1H3,(H,29,31)

Composition: C (50.49%), H (3.90%), Br (26.87%), Cl (5.96%), N (4.71%), O (8.07%)

Molar Mass: 594.73

Atom Count: 56

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	7
Exact Mass	591.976396
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HZIPVPRIVKIIIQ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	134.69
Topological Polar Surface Area	66.48
Polarizability	51.49
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H23Br2ClN2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00