ethyl 3-(2-chlorobenzamido)-4-(4-ethylpiperazin-1-yl)benzoate

ethyl 3-(2-chlorobenzamido)-4-(4-ethylpiperazin-1-yl)benzoate

Formula: C22H26ClN3O3

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

IUPAC: ethyl 3-(2-chlorobenzamido)-4-(4-ethylpiperazin-1-yl)benzoate

InChI: InChI=1S/C22H26ClN3O3/c1-3-25-11-13-26(14-12-25)20-10-9-16(22(28)29-4-2)15-19(20)24-21(27)17-7-5-6-8-18(17)23/h5-10,15H,3-4,11-14H2,1-2H3,(H,24,27)

Composition: C (63.53%), H (6.30%), Cl (8.52%), N (10.10%), O (11.54%)

Molar Mass: 415.92

Atom Count: 55

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	415.1662694
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	WDVMEJAPRARUTG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	118.4
Topological Polar Surface Area	61.88
Polarizability	44.07
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H26ClN3O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00