tert-butyl 4-[6-(3-bromophenyl)-3-cyanopyridin-2-yl]piperazine-1-carboxylate

tert-butyl 4-[6-(3-bromophenyl)-3-cyanopyridin-2-yl]piperazine-1-carboxylate

Formula: C21H23BrN4O2

SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C1=NC(=CC=C1C#N)C1=CC(Br)=CC=C1

IUPAC: tert-butyl 4-[6-(3-bromophenyl)-3-cyanopyridin-2-yl]piperazine-1-carboxylate

InChI: InChI=1S/C21H23BrN4O2/c1-21(2,3)28-20(27)26-11-9-25(10-12-26)19-16(14-23)7-8-18(24-19)15-5-4-6-17(22)13-15/h4-8,13H,9-12H2,1-3H3

Composition: C (56.89%), H (5.23%), Br (18.02%), N (12.64%), O (7.22%)

Molar Mass: 443.345

Atom Count: 51

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	442.100439
Formal Charge	0
FSP3	0.38
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	JAWIMXSOKBDFGA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	112.5
Topological Polar Surface Area	69.46
Polarizability	43.8
Ring Count	3
Rotatable Bond Count	4

Suppliers

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<14 Days	C21H23BrN4O2		$402.57$402.57