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

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

Formula: C22H23BrN2O3

SMILES: CCC1=CC(Br)=CC=C1NC(=O)C(C)N1C(=O)C2C(C3C=CC2C2CC32)C1=O

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

InChI: InChI=1/C22H23BrN2O3/c1-3-11-8-12(23)4-7-17(11)24-20(26)10(2)25-21(27)18-13-5-6-14(16-9-15(13)16)19(18)22(25)28/h4-8,10,13-16,18-19H,3,9H2,1-2H3,(H,24,26)

Composition: C (59.60%), H (5.23%), Br (18.02%), N (6.32%), O (10.83%)

Molar Mass: 443.341

Atom Count: 51

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	7
Exact Mass	442.089206
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LXAMYYDSLADNDR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.95
Topological Polar Surface Area	66.48
Polarizability	41.84
Ring Count	5
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H23BrN2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00