ethyl 4-(4-acetylpiperazin-1-yl)-3-(2,5-dichlorobenzamido)benzoate

ethyl 4-(4-acetylpiperazin-1-yl)-3-(2,5-dichlorobenzamido)benzoate

Formula: C22H23Cl2N3O4

SMILES: CCOC(=O)C1=CC=C(N2CCN(CC2)C(C)=O)C(NC(=O)C2=CC(Cl)=CC=C2Cl)=C1

IUPAC: ethyl 4-(4-acetylpiperazin-1-yl)-3-(2,5-dichlorobenzamido)benzoate

InChI: InChI=1S/C22H23Cl2N3O4/c1-3-31-22(30)15-4-7-20(27-10-8-26(9-11-27)14(2)28)19(12-15)25-21(29)17-13-16(23)5-6-18(17)24/h4-7,12-13H,3,8-11H2,1-2H3,(H,25,29)

Composition: C (56.91%), H (4.99%), Cl (15.27%), N (9.05%), O (13.78%)

Molar Mass: 464.34

Atom Count: 54

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	463.1065616
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VEZPWIGFZWQPIO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	122.72
Topological Polar Surface Area	78.95
Polarizability	45.7
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H23Cl2N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00