N-(4-bromo-2-methylphenyl)-3-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}propanamide

N-(4-bromo-2-methylphenyl)-3-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}propanamide

Formula: C21H21BrN2O3

SMILES: CC1=CC(Br)=CC=C1NC(=O)CCN1C(=O)C2C(C3C=CC2C2CC32)C1=O

IUPAC: N-(4-bromo-2-methylphenyl)-3-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}propanamide

InChI: InChI=1/C21H21BrN2O3/c1-10-8-11(22)2-5-16(10)23-17(25)6-7-24-20(26)18-12-3-4-13(15-9-14(12)15)19(18)21(24)27/h2-5,8,12-15,18-19H,6-7,9H2,1H3,(H,23,25)

Composition: C (58.75%), H (4.93%), Br (18.61%), N (6.53%), O (11.18%)

Molar Mass: 429.314

Atom Count: 48

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	6
Exact Mass	428.073556
Formal Charge	0
FSP3	0.48
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GZFWBGIJYFEBSI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.56
Topological Polar Surface Area	66.48
Polarizability	40.02
Ring Count	5
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H21BrN2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00