methyl 4-(4-benzylpiperazin-1-yl)-3-(4-ethylbenzamido)benzoate

methyl 4-(4-benzylpiperazin-1-yl)-3-(4-ethylbenzamido)benzoate

Formula: C28H31N3O3

SMILES: CCC1=CC=C(C=C1)C(=O)NC1=CC(=CC=C1N1CCN(CC2=CC=CC=C2)CC1)C(=O)OC

IUPAC: methyl 4-(4-benzylpiperazin-1-yl)-3-(4-ethylbenzamido)benzoate

InChI: InChI=1S/C28H31N3O3/c1-3-21-9-11-23(12-10-21)27(32)29-25-19-24(28(33)34-2)13-14-26(25)31-17-15-30(16-18-31)20-22-7-5-4-6-8-22/h4-14,19H,3,15-18,20H2,1-2H3,(H,29,32)

Composition: C (73.50%), H (6.83%), N (9.18%), O (10.49%)

Molar Mass: 457.574

Atom Count: 65

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	457.23654187
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	NAPOMFZBGHUZOB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	138.35
Topological Polar Surface Area	61.88
Polarizability	51.7
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H31N3O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00