methyl 4-(4-benzylpiperazin-1-yl)-3-(3,4-dimethoxybenzamido)benzoate

methyl 4-(4-benzylpiperazin-1-yl)-3-(3,4-dimethoxybenzamido)benzoate

Formula: C28H31N3O5

SMILES: COC(=O)C1=CC=C(N2CCN(CC3=CC=CC=C3)CC2)C(NC(=O)C2=CC=C(OC)C(OC)=C2)=C1

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

InChI: InChI=1S/C28H31N3O5/c1-34-25-12-10-21(18-26(25)35-2)27(32)29-23-17-22(28(33)36-3)9-11-24(23)31-15-13-30(14-16-31)19-20-7-5-4-6-8-20/h4-12,17-18H,13-16,19H2,1-3H3,(H,29,32)

Composition: C (68.69%), H (6.38%), N (8.58%), O (16.34%)

Molar Mass: 489.572

Atom Count: 67

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	489.22637111
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	DZMMJFPZLJDMBZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	141.63
Topological Polar Surface Area	80.34
Polarizability	53.13
Ring Count	4
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H31N3O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00