2-(4-bromophenyl)-2-oxoethyl 2-{8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0²,?]decan-4-yl}-3-methylbutanoate

2-(4-bromophenyl)-2-oxoethyl 2-{8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0²,?]decan-4-yl}-3-methylbutanoate

Formula: C22H22Br3NO5

SMILES: CC(C)C(N1C(=O)C2C3CC(C(Br)C3Br)C2C1=O)C(=O)OCC(=O)C1=CC=C(Br)C=C1

IUPAC: 2-(4-bromophenyl)-2-oxoethyl 2-{8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0²,?]decan-4-yl}-3-methylbutanoate

InChI: InChI=1/C22H22Br3NO5/c1-9(2)19(22(30)31-8-14(27)10-3-5-11(23)6-4-10)26-20(28)15-12-7-13(16(15)21(26)29)18(25)17(12)24/h3-6,9,12-13,15-19H,7-8H2,1-2H3

Composition: C (42.61%), H (3.58%), Br (38.66%), N (2.26%), O (12.90%)

Molar Mass: 620.132

Atom Count: 53

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	7
Exact Mass	616.904812
Formal Charge	0
FSP3	0.55
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	LTYWLGLMDCROQI-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	123.23
Topological Polar Surface Area	80.75
Polarizability	48.43
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H22Br3NO5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00