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

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

Formula: C20H19BrN2O3

SMILES: BrC1=CC=C(NC(=O)CCN2C(=O)C3C(C4C=CC3C3CC43)C2=O)C=C1

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

InChI: InChI=1/C20H19BrN2O3/c21-10-1-3-11(4-2-10)22-16(24)7-8-23-19(25)17-12-5-6-13(15-9-14(12)15)18(17)20(23)26/h1-6,12-15,17-18H,7-9H2,(H,22,24)

Composition: C (57.84%), H (4.61%), Br (19.24%), N (6.75%), O (11.56%)

Molar Mass: 415.287

Atom Count: 45

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	6
Exact Mass	414.057905
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GQFZBTNIZROOPP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	101.52
Topological Polar Surface Area	66.48
Polarizability	38.26
Ring Count	5
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H19BrN2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00