(2Z)-3-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]-N-(3-chlorophenyl)-2-cyanoprop-2-enamide

(2Z)-3-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]-N-(3-chlorophenyl)-2-cyanoprop-2-enamide

Formula: C21H16BrClN2O3

SMILES: CCOC1=CC(C=C(C#N)C(=O)NC2=CC=CC(Cl)=C2)=CC(Br)=C1OCC#C

IUPAC: (2Z)-3-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]-N-(3-chlorophenyl)-2-cyanoprop-2-enamide

InChI: InChI=1S/C21H16BrClN2O3/c1-3-8-28-20-18(22)10-14(11-19(20)27-4-2)9-15(13-24)21(26)25-17-7-5-6-16(23)12-17/h1,5-7,9-12H,4,8H2,2H3,(H,25,26)/b15-9-

Composition: C (54.87%), H (3.51%), Br (17.38%), Cl (7.71%), N (6.09%), O (10.44%)

Molar Mass: 459.72

Atom Count: 44

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	458.003283
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	BMJUOXYYQOLDFW-DHDCSXOGSA-N
Lipinski's Rule of Five
Molar Refractivity	114.07
Topological Polar Surface Area	71.35
Polarizability	42.24
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H16BrClN2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00