methyl 4-(4-benzylpiperazin-1-yl)-3-(2,4-dichlorobenzamido)benzoate

methyl 4-(4-benzylpiperazin-1-yl)-3-(2,4-dichlorobenzamido)benzoate

Formula: C26H25Cl2N3O3

SMILES: COC(=O)C1=CC=C(N2CCN(CC3=CC=CC=C3)CC2)C(NC(=O)C2=CC=C(Cl)C=C2Cl)=C1

IUPAC: methyl 4-(4-benzylpiperazin-1-yl)-3-(2,4-dichlorobenzamido)benzoate

InChI: InChI=1S/C26H25Cl2N3O3/c1-34-26(33)19-7-10-24(23(15-19)29-25(32)21-9-8-20(27)16-22(21)28)31-13-11-30(12-14-31)17-18-5-3-2-4-6-18/h2-10,15-16H,11-14,17H2,1H3,(H,29,32)

Composition: C (62.66%), H (5.06%), Cl (14.23%), N (8.43%), O (9.63%)

Molar Mass: 498.4

Atom Count: 59

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	497.1272971
Formal Charge	0
FSP3	0.23
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	GRNUPIKQHPKBMF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	138.32
Topological Polar Surface Area	61.88
Polarizability	51.86
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H25Cl2N3O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00