methyl 4-(4-benzylpiperazin-1-yl)-3-(3,5-dichloro-4-methoxybenzamido)benzoate

methyl 4-(4-benzylpiperazin-1-yl)-3-(3,5-dichloro-4-methoxybenzamido)benzoate

Formula: C27H27Cl2N3O4

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

IUPAC: methyl 4-(4-benzylpiperazin-1-yl)-3-(3,5-dichloro-4-methoxybenzamido)benzoate

InChI: InChI=1S/C27H27Cl2N3O4/c1-35-25-21(28)14-20(15-22(25)29)26(33)30-23-16-19(27(34)36-2)8-9-24(23)32-12-10-31(11-13-32)17-18-6-4-3-5-7-18/h3-9,14-16H,10-13,17H2,1-2H3,(H,30,33)

Composition: C (61.37%), H (5.15%), Cl (13.42%), N (7.95%), O (12.11%)

Molar Mass: 528.43

Atom Count: 63

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	527.1378618
Formal Charge	0
FSP3	0.26
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	LJSKWWDMZFORJP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	144.78
Topological Polar Surface Area	71.11
Polarizability	54.41
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H27Cl2N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00