methyl 3-(3,4-dichlorobenzamido)-4-(4-ethylpiperazin-1-yl)benzoate

methyl 3-(3,4-dichlorobenzamido)-4-(4-ethylpiperazin-1-yl)benzoate

Formula: C21H23Cl2N3O3

SMILES: CCN1CCN(CC1)C1=CC=C(C=C1NC(=O)C1=CC=C(Cl)C(Cl)=C1)C(=O)OC

IUPAC: methyl 3-(3,4-dichlorobenzamido)-4-(4-ethylpiperazin-1-yl)benzoate

InChI: InChI=1S/C21H23Cl2N3O3/c1-3-25-8-10-26(11-9-25)19-7-5-15(21(28)29-2)13-18(19)24-20(27)14-4-6-16(22)17(23)12-14/h4-7,12-13H,3,8-11H2,1-2H3,(H,24,27)

Composition: C (57.81%), H (5.31%), Cl (16.25%), N (9.63%), O (11.00%)

Molar Mass: 436.33

Atom Count: 52

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	435.111647
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OPEJQWNZMLUMPL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	118.45
Topological Polar Surface Area	61.88
Polarizability	44.15
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H23Cl2N3O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00