ethyl 5-[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enamido]-2-(morpholin-4-yl)benzoate

ethyl 5-[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enamido]-2-(morpholin-4-yl)benzoate

Formula: C22H22ClN3O6

SMILES: CCOC(=O)C1=CC(NC(=O)C=CC2=CC=C(Cl)C(=C2)[N+]([O-])=O)=CC=C1N1CCOCC1

IUPAC: ethyl 5-[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enamido]-2-(morpholin-4-yl)benzoate

InChI: InChI=1S/C22H22ClN3O6/c1-2-32-22(28)17-14-16(5-7-19(17)25-9-11-31-12-10-25)24-21(27)8-4-15-3-6-18(23)20(13-15)26(29)30/h3-8,13-14H,2,9-12H2,1H3,(H,24,27)/b8-4+

Composition: C (57.46%), H (4.82%), Cl (7.71%), N (9.14%), O (20.87%)

Molar Mass: 459.88

Atom Count: 54

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	459.1197131
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	GUAZVKCGAQGCQI-XBXARRHUSA-N
Lipinski's Rule of Five	1
Molar Refractivity	122.74
Topological Polar Surface Area	111.01
Polarizability	44.99
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H22ClN3O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00