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

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

Formula: C22H23BrN2O3

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

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

InChI: InChI=1/C22H23BrN2O3/c1-10-8-17(11(2)7-16(10)23)24-18(26)5-6-25-21(27)19-12-3-4-13(15-9-14(12)15)20(19)22(25)28/h3-4,7-8,12-15,19-20H,5-6,9H2,1-2H3,(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	6
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	AVGNUYYJZQRWSZ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.6
Topological Polar Surface Area	66.48
Polarizability	41.77
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