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

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

Formula: C22H22Cl2N2O4

SMILES: CCOC(=O)C1=CC(NC(=O)C=CC2=CC=C(Cl)C=C2Cl)=CC=C1N1CCOCC1

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

InChI: InChI=1S/C22H22Cl2N2O4/c1-2-30-22(28)18-14-17(6-7-20(18)26-9-11-29-12-10-26)25-21(27)8-4-15-3-5-16(23)13-19(15)24/h3-8,13-14H,2,9-12H2,1H3,(H,25,27)/b8-4+

Composition: C (58.81%), H (4.94%), Cl (15.78%), N (6.23%), O (14.24%)

Molar Mass: 449.33

Atom Count: 52

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	448.0956626
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VJAQJGAWYWUJMZ-XBXARRHUSA-N
Lipinski's Rule of Five
Molar Refractivity	121.22
Topological Polar Surface Area	67.87
Polarizability	44.92
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H22Cl2N2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00