ethyl 4-[(2E,4E)-2-[(2-bromophenyl)formamido]-5-phenylpenta-2,4-dienamido]benzoate

ethyl 4-[(2E,4E)-2-[(2-bromophenyl)formamido]-5-phenylpenta-2,4-dienamido]benzoate

Formula: C27H23BrN2O4

SMILES: CCOC(=O)C1=CC=C(NC(=O)C(NC(=O)C2=CC=CC=C2Br)=C/C=C/C2=CC=CC=C2)C=C1

IUPAC: ethyl 4-[(2E,4E)-2-[(2-bromophenyl)formamido]-5-phenylpenta-2,4-dienamido]benzoate

InChI: InChI=1S/C27H23BrN2O4/c1-2-34-27(33)20-15-17-21(18-16-20)29-26(32)24(14-8-11-19-9-4-3-5-10-19)30-25(31)22-12-6-7-13-23(22)28/h3-18H,2H2,1H3,(H,29,32)(H,30,31)/b11-8+,24-14+

Composition: C (62.44%), H (4.46%), Br (15.38%), N (5.39%), O (12.32%)

Molar Mass: 519.395

Atom Count: 57

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	518.08412
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	COYWYIRGOGRYAO-AGPUXGRSSA-N
Lipinski's Rule of Five
Molar Refractivity	139.79
Topological Polar Surface Area	84.5
Polarizability	51.24
Ring Count	3
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H23BrN2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00