2-bromo-4-[(1Z)-2-cyano-2-[(4-methylphenyl)carbamoyl]eth-1-en-1-yl]-6-methoxyphenyl acetate

2-bromo-4-[(1Z)-2-cyano-2-[(4-methylphenyl)carbamoyl]eth-1-en-1-yl]-6-methoxyphenyl acetate

Formula: C20H17BrN2O4

SMILES: COC1=CC(C=C(C#N)C(=O)NC2=CC=C(C)C=C2)=CC(Br)=C1OC(C)=O

IUPAC: 2-bromo-4-[(1Z)-2-cyano-2-[(4-methylphenyl)carbamoyl]eth-1-en-1-yl]-6-methoxyphenyl acetate

InChI: InChI=1S/C20H17BrN2O4/c1-12-4-6-16(7-5-12)23-20(25)15(11-22)8-14-9-17(21)19(27-13(2)24)18(10-14)26-3/h4-10H,1-3H3,(H,23,25)/b15-8-

Composition: C (55.96%), H (3.99%), Br (18.61%), N (6.53%), O (14.91%)

Molar Mass: 429.27

Atom Count: 44

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	428.03717
Formal Charge	0
FSP3	0.15
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	SSGGPSAFBKWVAM-NVNXTCNLSA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.65
Topological Polar Surface Area	88.42
Polarizability	39.62
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H17BrN2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00