methyl 4-(4-benzylpiperazin-1-yl)-3-[2-(2-methylphenoxy)acetamido]benzoate

methyl 4-(4-benzylpiperazin-1-yl)-3-[2-(2-methylphenoxy)acetamido]benzoate

Formula: C28H31N3O4

SMILES: COC(=O)C1=CC=C(N2CCN(CC3=CC=CC=C3)CC2)C(NC(=O)COC2=CC=CC=C2C)=C1

IUPAC: methyl 4-(4-benzylpiperazin-1-yl)-3-[2-(2-methylphenoxy)acetamido]benzoate

InChI: InChI=1S/C28H31N3O4/c1-21-8-6-7-11-26(21)35-20-27(32)29-24-18-23(28(33)34-2)12-13-25(24)31-16-14-30(15-17-31)19-22-9-4-3-5-10-22/h3-13,18H,14-17,19-20H2,1-2H3,(H,29,32)

Composition: C (71.02%), H (6.60%), N (8.87%), O (13.51%)

Molar Mass: 473.573

Atom Count: 66

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	473.23145649
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	KVVVXTJNMHJEEX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	139.04
Topological Polar Surface Area	71.11
Polarizability	52.4
Ring Count	4
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H31N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00