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

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

Formula: C30H34ClN3O4

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

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

InChI: InChI=1S/C30H34ClN3O4/c1-4-37-30(36)24-10-11-27(34-14-12-33(13-15-34)19-23-8-6-5-7-9-23)26(18-24)32-28(35)20-38-25-16-21(2)29(31)22(3)17-25/h5-11,16-18H,4,12-15,19-20H2,1-3H3,(H,32,35)

Composition: C (67.22%), H (6.39%), Cl (6.61%), N (7.84%), O (11.94%)

Molar Mass: 536.07

Atom Count: 72

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	535.2237843
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	MSQOLPFFEUFHQP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	153.64
Topological Polar Surface Area	71.11
Polarizability	57.86
Ring Count	4
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C30H34ClN3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00