ethyl 4-(4-benzoylpiperazin-1-yl)-3-(4-fluorobenzamido)benzoate

ethyl 4-(4-benzoylpiperazin-1-yl)-3-(4-fluorobenzamido)benzoate

Formula: C27H26FN3O4

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

IUPAC: ethyl 4-(4-benzoylpiperazin-1-yl)-3-(4-fluorobenzamido)benzoate

InChI: InChI=1S/C27H26FN3O4/c1-2-35-27(34)21-10-13-24(23(18-21)29-25(32)19-8-11-22(28)12-9-19)30-14-16-31(17-15-30)26(33)20-6-4-3-5-7-20/h3-13,18H,2,14-17H2,1H3,(H,29,32)

Composition: C (68.20%), H (5.51%), F (4.00%), N (8.84%), O (13.46%)

Molar Mass: 475.52

Atom Count: 61

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	475.190734492
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	LQCCGOYCGVUYEP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	134
Topological Polar Surface Area	78.95
Polarizability	49.08
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H26FN3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00