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

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

Formula: C28H28ClN3O5

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

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

InChI: InChI=1S/C28H28ClN3O5/c1-2-36-28(35)21-8-13-25(24(18-21)30-26(33)19-37-23-11-9-22(29)10-12-23)31-14-16-32(17-15-31)27(34)20-6-4-3-5-7-20/h3-13,18H,2,14-17,19H2,1H3,(H,30,33)

Composition: C (64.43%), H (5.41%), Cl (6.79%), N (8.05%), O (15.32%)

Molar Mass: 522

Atom Count: 65

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	521.1717487
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	DXZRDDXWEYQQCP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	143.88
Topological Polar Surface Area	88.18
Polarizability	53.83
Ring Count	4
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H28ClN3O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00