N-(4-bromo-3,5-dimethylphenyl)-2-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]dec-8-en-4-yl}propanamide

N-(4-bromo-3,5-dimethylphenyl)-2-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]dec-8-en-4-yl}propanamide

Formula: C20H21BrN2O3

SMILES: CC(N1C(=O)C2C3CC(C=C3)C2C1=O)C(=O)NC1=CC(C)=C(Br)C(C)=C1

IUPAC: N-(4-bromo-3,5-dimethylphenyl)-2-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]dec-8-en-4-yl}propanamide

InChI: InChI=1/C20H21BrN2O3/c1-9-6-14(7-10(2)17(9)21)22-18(24)11(3)23-19(25)15-12-4-5-13(8-12)16(15)20(23)26/h4-7,11-13,15-16H,8H2,1-3H3,(H,22,24)

Composition: C (57.56%), H (5.07%), Br (19.15%), N (6.71%), O (11.50%)

Molar Mass: 417.303

Atom Count: 47

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	5
Exact Mass	416.073556
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OMNLLCIIGKQJNP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.1
Topological Polar Surface Area	66.48
Polarizability	38.83
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H21BrN2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00