ethyl 3-[2-(4-chlorophenoxy)acetamido]-4-(4-ethylpiperazin-1-yl)benzoate

ethyl 3-[2-(4-chlorophenoxy)acetamido]-4-(4-ethylpiperazin-1-yl)benzoate

Formula: C23H28ClN3O4

SMILES: CCOC(=O)C1=CC=C(N2CCN(CC)CC2)C(NC(=O)COC2=CC=C(Cl)C=C2)=C1

IUPAC: ethyl 3-[2-(4-chlorophenoxy)acetamido]-4-(4-ethylpiperazin-1-yl)benzoate

InChI: InChI=1S/C23H28ClN3O4/c1-3-26-11-13-27(14-12-26)21-10-5-17(23(29)30-4-2)15-20(21)25-22(28)16-31-19-8-6-18(24)7-9-19/h5-10,15H,3-4,11-14,16H2,1-2H3,(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	CKZXYHTZJYEQMX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	123.69
Topological Polar Surface Area	71.11
Polarizability	46.61
Ring Count	3
Rotatable Bond Count	9

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