methyl 4-(4-benzylpiperazin-1-yl)-3-[2-(4-chloro-3,5-dimethylphenoxy)acetamido]benzoate

methyl 4-(4-benzylpiperazin-1-yl)-3-[2-(4-chloro-3,5-dimethylphenoxy)acetamido]benzoate

Formula: C29H32ClN3O4

SMILES: COC(=O)C1=CC=C(N2CCN(CC3=CC=CC=C3)CC2)C(NC(=O)COC2=CC(C)=C(Cl)C(C)=C2)=C1

IUPAC: methyl 4-(4-benzylpiperazin-1-yl)-3-[2-(4-chloro-3,5-dimethylphenoxy)acetamido]benzoate

InChI: InChI=1S/C29H32ClN3O4/c1-20-15-24(16-21(2)28(20)30)37-19-27(34)31-25-17-23(29(35)36-3)9-10-26(25)33-13-11-32(12-14-33)18-22-7-5-4-6-8-22/h4-10,15-17H,11-14,18-19H2,1-3H3,(H,31,34)

Composition: C (66.72%), H (6.18%), Cl (6.79%), N (8.05%), O (12.26%)

Molar Mass: 522.04

Atom Count: 69

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	521.2081342
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	UKLXHULSYCOVRB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	148.89
Topological Polar Surface Area	71.11
Polarizability	56.02
Ring Count	4
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C29H32ClN3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00