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

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

Formula: C22H24FN3O4

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

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

InChI: InChI=1S/C22H24FN3O4/c1-3-30-22(29)17-7-8-20(26-11-9-25(10-12-26)15(2)27)19(14-17)24-21(28)16-5-4-6-18(23)13-16/h4-8,13-14H,3,9-12H2,1-2H3,(H,24,28)

Composition: C (63.91%), H (5.85%), F (4.60%), N (10.16%), O (15.48%)

Molar Mass: 413.449

Atom Count: 54

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	413.175084428
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VSRFTYXHWPIYFS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.33
Topological Polar Surface Area	78.95
Polarizability	41.58
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H24FN3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00