methyl 4-(4-benzoylpiperazin-1-yl)-3-[2-(2,4-dichlorophenoxy)propanamido]benzoate

methyl 4-(4-benzoylpiperazin-1-yl)-3-[2-(2,4-dichlorophenoxy)propanamido]benzoate

Formula: C28H27Cl2N3O5

SMILES: COC(=O)C1=CC=C(N2CCN(CC2)C(=O)C2=CC=CC=C2)C(NC(=O)C(C)OC2=CC=C(Cl)C=C2Cl)=C1

IUPAC: methyl 4-(4-benzoylpiperazin-1-yl)-3-[2-(2,4-dichlorophenoxy)propanamido]benzoate

InChI: InChI=1/C28H27Cl2N3O5/c1-18(38-25-11-9-21(29)17-22(25)30)26(34)31-23-16-20(28(36)37-2)8-10-24(23)32-12-14-33(15-13-32)27(35)19-6-4-3-5-7-19/h3-11,16-18H,12-15H2,1-2H3,(H,31,34)

Composition: C (60.44%), H (4.89%), Cl (12.74%), N (7.55%), O (14.38%)

Molar Mass: 556.44

Atom Count: 65

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	555.1327764
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	DOWKEPPPWYASPM-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	148.43
Topological Polar Surface Area	88.18
Polarizability	55.76
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H27Cl2N3O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00