ethyl 3-[(2E)-2-[(5-bromofuran-2-yl)formamido]-3-(3-nitrophenyl)prop-2-enamido]benzoate

ethyl 3-[(2E)-2-[(5-bromofuran-2-yl)formamido]-3-(3-nitrophenyl)prop-2-enamido]benzoate

Formula: C23H18BrN3O7

SMILES: CCOC(=O)C1=CC=CC(NC(=O)C(NC(=O)C2=CC=C(Br)O2)=C/C2=CC=CC(=C2)[N+]([O-])=O)=C1

IUPAC: ethyl 3-[(2E)-2-[(5-bromofuran-2-yl)formamido]-3-(3-nitrophenyl)prop-2-enamido]benzoate

InChI: InChI=1S/C23H18BrN3O7/c1-2-33-23(30)15-6-4-7-16(13-15)25-21(28)18(26-22(29)19-9-10-20(24)34-19)12-14-5-3-8-17(11-14)27(31)32/h3-13H,2H2,1H3,(H,25,28)(H,26,29)/b18-12+

Composition: C (52.29%), H (3.43%), Br (15.12%), N (7.95%), O (21.20%)

Molar Mass: 528.315

Atom Count: 52

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	527.032813
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	OATJWITYXAXARU-LDADJPATSA-N
Lipinski's Rule of Five
Molar Refractivity	127.97
Topological Polar Surface Area	140.78
Polarizability	46.88
Ring Count	3
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H18BrN3O7		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00