2-{8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0²,?]decan-4-yl}-4-(methylsulfanyl)butanoic acid

2-{8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0²,?]decan-4-yl}-4-(methylsulfanyl)butanoic acid

Formula: C14H17Br2NO4S

SMILES: CSCCC(N1C(=O)C2C3CC(C(Br)C3Br)C2C1=O)C(O)=O

IUPAC: 2-{8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0²,?]decan-4-yl}-4-(methylsulfanyl)butanoic acid

InChI: InChI=1/C14H17Br2NO4S/c1-22-3-2-7(14(20)21)17-12(18)8-5-4-6(9(8)13(17)19)11(16)10(5)15/h5-11H,2-4H2,1H3,(H,20,21)

Composition: C (36.94%), H (3.76%), Br (35.11%), N (3.08%), O (14.06%), S (7.04%)

Molar Mass: 455.16

Atom Count: 39

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	7
Exact Mass	452.924505
Formal Charge	0
FSP3	0.79
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OFWVXUGPCJUTIZ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.03
Topological Polar Surface Area	74.68
Polarizability	35.1
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H17Br2NO4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00