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

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

Formula: C27H28FN3O3

SMILES: CCOC(=O)C1=CC=C(N2CCN(CC3=CC=CC=C3)CC2)C(NC(=O)C2=CC=C(F)C=C2)=C1

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

InChI: InChI=1S/C27H28FN3O3/c1-2-34-27(33)22-10-13-25(24(18-22)29-26(32)21-8-11-23(28)12-9-21)31-16-14-30(15-17-31)19-20-6-4-3-5-7-20/h3-13,18H,2,14-17,19H2,1H3,(H,29,32)

Composition: C (70.26%), H (6.12%), F (4.12%), N (9.10%), O (10.40%)

Molar Mass: 461.537

Atom Count: 62

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	461.211469937
Formal Charge	0
FSP3	0.26
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	FGEJADCSAWDBEN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	133.67
Topological Polar Surface Area	61.88
Polarizability	49.58
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H28FN3O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00