ethyl 3-(3-chloro-4-methoxybenzamido)-4-(4-ethylpiperazin-1-yl)benzoate

ethyl 3-(3-chloro-4-methoxybenzamido)-4-(4-ethylpiperazin-1-yl)benzoate

Formula: C23H28ClN3O4

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

IUPAC: ethyl 3-(3-chloro-4-methoxybenzamido)-4-(4-ethylpiperazin-1-yl)benzoate

InChI: InChI=1S/C23H28ClN3O4/c1-4-26-10-12-27(13-11-26)20-8-6-17(23(29)31-5-2)15-19(20)25-22(28)16-7-9-21(30-3)18(24)14-16/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,25,28)

Composition: C (61.95%), H (6.33%), Cl (7.95%), N (9.42%), O (14.35%)

Molar Mass: 445.94

Atom Count: 59

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	445.1768341
Formal Charge	0
FSP3	0.39
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	HQFJABZCDFLKOC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	124.86
Topological Polar Surface Area	71.11
Polarizability	46.61
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H28ClN3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00